SCHEMBL7499378

SCHEMBL7499378

COc1cc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.54
TACR2 P21452 8/20 0.52
HRH1 P35367 4/20 0.52
KCNH2 Q12809 3/20 0.52
EED O75530 2/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
HRH4 Q9H3N8 2/20 0.52
MEN1 O00255 1/20 0.52
MLNR O43193 1/20 0.52
CACNA1F O60840 1/20 0.52
USP2 O75604 1/20 0.52
ABCB11 O95342 1/20 0.52
EGFR P00533 1/20 0.52
HLA-A P04439 1/20 0.52
ERBB2 P04626 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52

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
SCHEMBL7493204 0.95 SSTR5 (0.58) SSTR5TACR2HRH1KCNH2EED
SCHEMBL7503262 0.94 SSTR5 (0.55) SSTR5TACR2HRH1KCNH2EED
SCHEMBL7495817 0.94 SSTR5 (0.55) SSTR5TACR2HRH1KCNH2EED
SCHEMBL7494187 0.93 SSTR5 (0.55) SSTR5TACR2HRH1KCNH2EED
SCHEMBL7496872 0.93 TACR2 (0.52) TACR2
SCHEMBL7495656 0.93 SSTR5 (0.57) SSTR5TACR2HRH1KCNH2EED
SCHEMBL7496540 0.93 SSTR5 (0.54) SSTR5TACR2HRH1KCNH2EED
SCHEMBL7496603 0.93 KCNH2 (0.60) SSTR5TACR2HRH1KCNH2EED
SCHEMBL7501760 0.92 SSTR5 (0.56) SSTR5TACR2HRH1KCNH2EED
SCHEMBL7496273 0.92 SSTR5 (0.54) SSTR5TACR2HRH1KCNH2EED

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