SCHEMBL7489482

SCHEMBL7489482

COc1ccc(C(CCN2CCC(Nc3nc4ccccc4n3Cc3ccoc3)CC2)CN(C)C(=O)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.51
TACR2 P21452 8/20 0.51
SSTR5 P35346 3/20 0.51
EED O75530 2/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 1/20 0.51
MLNR O43193 1/20 0.51
CACNA1F O60840 1/20 0.51
USP2 O75604 1/20 0.51
ABCB11 O95342 1/20 0.51
EGFR P00533 1/20 0.51
HLA-A P04439 1/20 0.51
ERBB2 P04626 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51

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
SCHEMBL7499033 0.94 KCNH2 (0.47) KCNH2TACR2SSTR5EEDLMNA
SCHEMBL7500327 0.93 KCNH2 (0.46) KCNH2TACR2SSTR5EEDLMNA
SCHEMBL7492339 0.93 KCNH2 (0.48) KCNH2TACR2SSTR5EEDLMNA
SCHEMBL7497075 0.92 TACR2 (0.49) KCNH2TACR2SSTR5
SCHEMBL7495484 0.92 SSTR5 (0.52) KCNH2TACR2SSTR5EEDLMNA
SCHEMBL7497403 0.92 TACR2 (0.47) KCNH2TACR2SSTR5EEDLMNA
SCHEMBL7495072 0.90 KCNH2 (0.54) KCNH2TACR2SSTR5EEDLMNA
SCHEMBL7496546 0.90 KCNH2 (0.65) KCNH2TACR2SSTR5EEDLMNA
SCHEMBL7493351 0.89 SSTR5 (0.45) KCNH2TACR2SSTR5EEDLMNA
SCHEMBL7502004 0.89 TACR2 (0.47) KCNH2TACR2SSTR5

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