SCHEMBL7490395

SCHEMBL7490395

COc1cccc(C(CCN2CCC(Nc3nc4ccccc4n3CCOCC(F)(F)F)CC2)CN(C)C(=O)c2cc(OC)c(OC)c(OC)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.44
TACR2 P21452 6/20 0.39
HRH1 P35367 5/20 0.39
SSTR5 P35346 3/20 0.39
EED O75530 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
TACR1 P25103 2/20 0.39
MEN1 O00255 1/20 0.39
MLNR O43193 1/20 0.39
CACNA1F O60840 1/20 0.39
USP2 O75604 1/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
HLA-A P04439 1/20 0.39
ERBB2 P04626 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39

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
SCHEMBL7496857 0.95 KCNH2 (0.43) KCNH2TACR2HRH1SSTR5EED
SCHEMBL7495098 0.94 KCNH2 (0.48) KCNH2TACR2HRH1SSTR5EED
SCHEMBL7496275 0.94 CCR5 (0.42) KCNH2TACR2HRH1SSTR5
SCHEMBL7495065 0.94 KCNH2 (0.46) KCNH2TACR2HRH1SSTR5EED
SCHEMBL7495149 0.94 KCNH2 (0.46) KCNH2TACR2HRH1SSTR5EED
SCHEMBL7495302 0.93 KCNH2 (0.42) KCNH2TACR2HRH1SSTR5
SCHEMBL7499795 0.92 KCNH2 (0.41) KCNH2TACR2HRH1SSTR5EED
SCHEMBL7493728 0.92 SSTR5 (0.45) KCNH2TACR2HRH1SSTR5EED
SCHEMBL7547633 0.91 TACR2 (0.49) TACR2
SCHEMBL7492951 0.91 TACR2 (0.42) KCNH2TACR2HRH1SSTR5EED

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
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