SCHEMBL7499554

SCHEMBL7499554

COc1cc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3C)CC2)c2ccccc2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 16/20 0.47
CCR5 P51681 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL7491258 0.95 KCNH2 (0.48) TACR2KCNH2
SCHEMBL7498270 0.94 SSTR5 (0.46) TACR2KCNH2
SCHEMBL7489899 0.93 TACR2 (0.47) TACR2CCR5
SCHEMBL7503203 0.92 TACR2 (0.57) TACR2
SCHEMBL7499627 0.90 HRH1 (0.47) TACR2KCNH2
SCHEMBL7500125 0.90 KCNH2 (0.44) TACR2CCR5KCNH2
SCHEMBL7504280 0.90 KCNH2 (0.52) TACR2CCR5KCNH2
SCHEMBL7496631 0.90 KCNH2 (0.44) TACR2CCR5KCNH2
SCHEMBL7494069 0.90 KCNH2 (0.47) TACR2CCR5KCNH2
SCHEMBL7495400 0.89 SSTR5 (0.48) TACR2KCNH2

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