SCHEMBL7498698

SCHEMBL7498698

COc1ccc(C(CCN2CCC(Nc3nc4ccccc4n3C)CC2)CN(C)C(=O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.52
TACR2 P21452 16/20 0.52

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
SCHEMBL7496677 0.93 TACR2 (0.54) TACR2
SCHEMBL7491258 0.91 KCNH2 (0.48) KCNH2TACR2
SCHEMBL7494196 0.91 TACR2 (0.53) TACR2
SCHEMBL7502041 0.90 KCNH2 (0.52) KCNH2TACR2
SCHEMBL7496534 0.90 KCNH2 (0.52) KCNH2TACR2
SCHEMBL7500135 0.90 KCNH2 (0.54) KCNH2TACR2
SCHEMBL7499921 0.90 KCNH2 (0.62) KCNH2TACR2
SCHEMBL7500152 0.89 KCNH2 (0.55) KCNH2TACR2
SCHEMBL7495072 0.89 KCNH2 (0.54) KCNH2TACR2
SCHEMBL7500156 0.89 KCNH2 (0.53) KCNH2TACR2

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