SCHEMBL7497403

SCHEMBL7497403

COc1ccc(C(CCN2CCC(Nc3nc4ccccc4n3Cc3ccoc3)CC2)CN(C)C(=O)c2ccccc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 16/20 0.47
KCNH2 Q12809 3/20 0.43
EED O75530 2/20 0.43
SSTR5 P35346 2/20 0.43
MEN1 O00255 1/20 0.43
MLNR O43193 1/20 0.43
CACNA1F O60840 1/20 0.43
USP2 O75604 1/20 0.43
ABCB11 O95342 1/20 0.43
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.43
HLA-A P04439 1/20 0.43
ERBB2 P04626 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
ABCB1 P08183 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
SCHEMBL7503230 0.95 SSTR5 (0.44) TACR2KCNH2EEDSSTR5MEN1
SCHEMBL7489482 0.92 KCNH2 (0.51) TACR2KCNH2EEDSSTR5MEN1
SCHEMBL7500327 0.91 KCNH2 (0.46) TACR2KCNH2EEDSSTR5MEN1
SCHEMBL7499033 0.91 KCNH2 (0.47) TACR2KCNH2EEDSSTR5MEN1
SCHEMBL7493351 0.90 SSTR5 (0.45) TACR2KCNH2EEDSSTR5MEN1
SCHEMBL7496651 0.90 TACR2 (0.59) TACR2
SCHEMBL7502004 0.90 TACR2 (0.47) TACR2KCNH2SSTR5
SCHEMBL7497008 0.90 SSTR5 (0.55) TACR2KCNH2EEDSSTR5MEN1
SCHEMBL7492404 0.89 TACR2 (0.47) TACR2KCNH2
SCHEMBL7497075 0.89 TACR2 (0.49) TACR2KCNH2SSTR5

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