SCHEMBL7495169

SCHEMBL7495169

COc1ccc(-n2cnnn2)cc1C(=O)N(C)CC(CCN1CCC(Nc2nc3ccccc3n2Cc2ccco2)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.45
TACR1 P25103 2/20 0.40
TACR3 P29371 2/20 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
SCHEMBL7500614 0.93 KCNH2 (0.41) TACR2TACR1
SCHEMBL7502305 0.91 TACR2 (0.45) TACR2TACR1TACR3
SCHEMBL7503199 0.91 TACR2 (0.47) TACR2TACR1
SCHEMBL7503870 0.90 TACR2 (0.47) TACR2
SCHEMBL7498868 0.90 TACR2 (0.48) TACR2TACR1TACR3
SCHEMBL7498694 0.90 TACR2 (0.47) TACR2
SCHEMBL7502447 0.90 TACR2 (0.47) TACR2TACR1TACR3
SCHEMBL7492160 0.88 TACR2 (0.46) TACR2
SCHEMBL7489981 0.88 TACR2 (0.46) TACR2
SCHEMBL6597567 0.88 TACR2 (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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