SCHEMBL7501776

SCHEMBL7501776

COc1ccc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 7/20 0.56
KCNH2 Q12809 6/20 0.56
SSTR5 P35346 5/20 0.56
TACR1 P25103 3/20 0.56
HRH1 P35367 3/20 0.56
EED O75530 2/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
HRH4 Q9H3N8 2/20 0.56
MEN1 O00255 1/20 0.56
MLNR O43193 1/20 0.56
CACNA1F O60840 1/20 0.56
USP2 O75604 1/20 0.56
ABCB11 O95342 1/20 0.56
EGFR P00533 1/20 0.56
HLA-A P04439 1/20 0.56
ERBB2 P04626 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
LCK P06239 1/20 0.56

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
SCHEMBL7502597 0.92 TACR2 (0.53) TACR2KCNH2SSTR5TACR1HRH1
SCHEMBL7497349 0.91 TACR2 (0.47) TACR2KCNH2SSTR5TACR1HRH1
SCHEMBL7502504 0.90 TACR2 (0.48) TACR2KCNH2SSTR5TACR1HRH1
SCHEMBL7491192 0.90 TACR2 (0.48) TACR2KCNH2SSTR5TACR1HRH1
SCHEMBL7496542 0.89 TACR2 (0.51) TACR2KCNH2TACR1TACR3
SCHEMBL7499378 0.89 SSTR5 (0.54) TACR2KCNH2SSTR5TACR1HRH1
SCHEMBL7497407 0.89 TACR2 (0.47) TACR2KCNH2SSTR5TACR1HRH1
SCHEMBL7496519 0.89 TACR2 (0.51) TACR2KCNH2TACR1TACR3
SCHEMBL7491226 0.88 TACR2 (0.47) TACR2KCNH2TACR1TACR3
SCHEMBL7496774 0.88 TACR2 (0.61) TACR2SSTR5

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