SCHEMBL7500102

SCHEMBL7500102

COc1cc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4[nH]3)CC2)c2ccccc2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 14/20 0.53
KCNH2 Q12809 2/20 0.49
USP2 O75604 1/20 0.46
CCR5 P51681 1/20 0.43
HRH1 P35367 1/20 0.43
CXCR6 O00574 1/20 0.42

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
SCHEMBL7498657 0.95 KCNH2 (0.54) TACR2KCNH2USP2HRH1CXCR6
SCHEMBL7496523 0.94 TACR2 (0.54) TACR2KCNH2USP2
SCHEMBL7493414 0.94 TACR2 (0.51) TACR2KCNH2USP2HRH1CXCR6
SCHEMBL7494874 0.93 TACR2 (0.53) TACR2KCNH2USP2CCR5
SCHEMBL7491913 0.93 TACR2 (0.52) TACR2KCNH2USP2
SCHEMBL7496327 0.92 TACR2 (0.64) TACR2
SCHEMBL7494683 0.90 TACR2 (0.62) TACR2KCNH2
SCHEMBL7496478 0.88 TACR2 (0.59) TACR2KCNH2
SCHEMBL8459362 0.87 KCNH2 (0.52) TACR2KCNH2
SCHEMBL7465535 0.86 HRH1 (0.58) TACR2HRH1

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