SCHEMBL7495302

SCHEMBL7495302

COc1ccc(C(CCN2CCC(Nc3nc4ccccc4n3CCOCC(F)(F)F)CC2)CN(C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.42
HRH1 P35367 2/20 0.41
TACR2 P21452 13/20 0.41
SSTR5 P35346 1/20 0.39

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
SCHEMBL7496857 0.95 KCNH2 (0.43) KCNH2HRH1TACR2SSTR5
SCHEMBL7504134 0.95 TACR2 (0.47) KCNH2TACR2
SCHEMBL7499795 0.94 KCNH2 (0.41) KCNH2HRH1TACR2SSTR5
SCHEMBL7495098 0.94 KCNH2 (0.48) KCNH2HRH1TACR2SSTR5
SCHEMBL7493728 0.94 SSTR5 (0.45) KCNH2HRH1TACR2SSTR5
SCHEMBL7547633 0.94 TACR2 (0.49) TACR2
SCHEMBL7492951 0.94 TACR2 (0.42) KCNH2HRH1TACR2SSTR5
SCHEMBL7495454 0.93 HRH1 (0.47) KCNH2HRH1TACR2
SCHEMBL7490395 0.93 KCNH2 (0.44) KCNH2HRH1TACR2SSTR5
SCHEMBL7496275 0.92 CCR5 (0.42) KCNH2HRH1TACR2SSTR5

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