SCHEMBL7500327

SCHEMBL7500327

COc1cccc(C(CCN2CCC(Nc3nc4ccccc4n3Cc3ccoc3)CC2)CN(C)C(=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.46
TACR2 P21452 8/20 0.46
EED O75530 2/20 0.46
SSTR5 P35346 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
MLNR O43193 1/20 0.46
CACNA1F O60840 1/20 0.46
USP2 O75604 1/20 0.46
ABCB11 O95342 1/20 0.46
EGFR P00533 1/20 0.46
HLA-A P04439 1/20 0.46
ERBB2 P04626 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46

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
SCHEMBL7501087 0.94 KCNH2 (0.44) KCNH2TACR2EEDSSTR5LMNA
SCHEMBL7489482 0.93 KCNH2 (0.51) KCNH2TACR2EEDSSTR5LMNA
SCHEMBL7499033 0.92 KCNH2 (0.47) KCNH2TACR2EEDSSTR5LMNA
SCHEMBL7497403 0.91 TACR2 (0.47) KCNH2TACR2EEDSSTR5LMNA
SCHEMBL7498790 0.91 TACR2 (0.49) KCNH2TACR2SSTR5
SCHEMBL7492618 0.90 KCNH2 (0.59) KCNH2TACR2EEDSSTR5LMNA
SCHEMBL7497421 0.89 TACR2 (0.46) KCNH2TACR2EEDSSTR5LMNA
SCHEMBL7493351 0.89 SSTR5 (0.45) KCNH2TACR2EEDSSTR5LMNA
SCHEMBL7502004 0.89 TACR2 (0.47) KCNH2TACR2SSTR5
SCHEMBL7496651 0.89 TACR2 (0.59) TACR2

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