SCHEMBL6599083

SCHEMBL6599083

CN(CC(CCS(C)(=O)=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 15/20 0.46
TACR1 P25103 2/20 0.43
CCR5 P51681 2/20 0.41
HSD11B1 P28845 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
SCHEMBL6595358 0.89 L3MBTL1 (0.50) TACR2TACR1
SCHEMBL6598009 0.87 TACR2 (0.48) TACR2TACR1CCR5
SCHEMBL6425161 0.86 TACR2 (0.65) TACR2TACR1
SCHEMBL6599074 0.84 TACR2 (0.46) TACR2TACR1
SCHEMBL6597155 0.84 MAPK1 (0.42) TACR1
SCHEMBL6592987 0.83 TACR2 (0.49) TACR2TACR1
SCHEMBL6595590 0.82 HPGD (0.48) TACR2TACR1CCR5
SCHEMBL9114481 0.82 TACR2 (0.48) TACR2TACR1
SCHEMBL5858612 0.79 TACR1 (0.48) TACR2TACR1
SCHEMBL6595596 0.77 TACR2 (0.35) TACR2TACR1

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 24 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
CN-1096460-C Novel substituted N-methyl-N-(4-(piperidin-1-yl)-2-(aryl) butyl) benzamides useful for treatment of allergic diseases AVENTIS PHARMA INC (US) 2002-12-18 CN 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
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-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
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
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-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-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-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