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SCHEMBL6598908

SCHEMBL6598908

COc1cc(C(=O)N(C)CC(CCO)c2cccs2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ TUBB4A P04350 2/20 0.41
▸ TUBB P07437 2/20 0.41
▸ TUBA3C P0DPH7 2/20 0.41
▸ TUBA1B P68363 2/20 0.41
▸ TUBA4A P68366 2/20 0.41
▸ TUBB4B P68371 2/20 0.41
▸ TUBB3 Q13509 2/20 0.41
▸ TUBB2A Q13885 2/20 0.41
▸ TUBB8 Q3ZCM7 2/20 0.41
▸ TUBA3E Q6PEY2 2/20 0.41
▸ TUBA1A Q71U36 2/20 0.41
▸ TUBA1C Q9BQE3 2/20 0.41
▸ TUBB6 Q9BUF5 2/20 0.41
▸ TUBB2B Q9BVA1 2/20 0.41
▸ TUBB1 Q9H4B7 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ POLB P06746 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6597573 0.88 TP53 (0.47) TP53L3MBTL1BRD4TUBB4ATUBB
SCHEMBL6595569 0.84 TP53 (0.42) TP53L3MBTL1BRD4TUBB4ATUBB
SCHEMBL6594371 0.82 ACKR3 (0.45) L3MBTL1BRD4MEN1KMT2ATNFRSF1A
SCHEMBL6595256 0.79 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6597387 0.78 LMNA (0.45) TP53TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6596311 0.78 SMN1; SMN2 (0.40) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6596199 0.77 L3MBTL1 (0.43) L3MBTL1KDM4EPOLBMEN1KMT2A
SCHEMBL6597086 0.77 ABCB1 (0.47) TP53TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6595201 0.77 TACR2 (0.50) —
SCHEMBL6598631 0.76 TACR1 (0.47) KDM4EMEN1KMT2AMAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888338-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2004-11-17 — — EP disclosed
CN-1143856-C Novel substituted N-methyl-N-(4-(4-(1H-benzimidazol-2-yl) [1,4] diazepan-1-yl)-1-(aryl) butyl) benzamides useful for treatment of allergic diseases ���µ�˹ҩ�﹫˾ 2004-03-31 — — CN disclosed
CN-1136191-C Carboxy substituted carboxamide derivatives as tachykinin receptor antagonists ������ҩ�����޹�˾ 2004-01-28 — — CN disclosed
CN-1115341-C Novel substituted N-methyl-N- (4- (4- (1H-benzimidazol-2-ylamino) piperidin-1-yl) -2- (aryl) butyl) benzamides for the treatment of allergic diseases AVENTIS PHARMACEUTICALS CORP (US) 2003-07-23 — — CN disclosed
EP-0882038-B1 SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-12-18 — — EP disclosed
EP-0888336-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)P IPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-08-07 — — EP disclosed
US-6316445-B1 TACHYKININ RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. 2001-11-13 — — US disclosed
US-6297259-B1 HISTAMINE RECEPTOR ANTAGONISTS AND TACHYKININ RECEPTOR ANTAGONISTS. AVENTIS PHARMACEUTICALS INC. 2001-10-02 — — US disclosed
CN-1301253-A Carboxy substituted carboxamide derivatives as tachykinin receptor antagonists AVENTIS PHARMACEUTICAL INC (US) 2001-06-27 — — CN disclosed
EP-1077942-A1 CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2001-02-28 — — EP disclosed
US-5922737-A Substituted N-methyl-N-(4-(4-(1H-Benzimidazol-2-YL-amino) piperidin-1-YL)-2-(arlyl) butyl) benzamides useful for the treatment of allergic diseases HOECHST MARION ROUSSEL, INC. (US) 1999-07-13 — — US disclosed
CN-1211247-A Novel substituted N-methyl-N-(4-(piperidin-1-yl)-2-(aryl) butyl) benzamides useful for treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 1999-03-17 — — CN disclosed
CN-1211246-A Novel substituted N-methyl-N-(4-(1H-benzimidazol-2-yl-amino) piperidin-1-yl)-2-(aryl) butyl) benzamides useful for treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 1999-03-17 — — CN disclosed
CN-1211248-A Novel substituted N-methyl-N-(4-(4-(1H-benzimidazol-2-yl) [1,4] diazepan-1-yl)-1-(aryl) butyl) benzamides useful for treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 1999-03-17 — — CN disclosed
EP-0888338-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 — — EP disclosed
EP-0888336-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)P IPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 — — EP disclosed
EP-0882038-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-12-09 — — EP disclosed
WO-1997030990-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 — — WO disclosed
WO-1997030989-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 — — WO disclosed
WO-1997030991-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 — — WO disclosed