SCHEMBL7499795

SCHEMBL7499795

COc1cc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3CCOCC(F)(F)F)CC2)c2ccc(F)c(F)c2)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.41
TACR2 P21452 12/20 0.40
SSTR5 P35346 2/20 0.40
CCR5 P51681 1/20 0.39
HRH1 P35367 3/20 0.38
EED O75530 2/20 0.38
MEN1 O00255 1/20 0.38
MLNR O43193 1/20 0.38
CACNA1F O60840 1/20 0.38
USP2 O75604 1/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
HLA-A P04439 1/20 0.38
ERBB2 P04626 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CHRM2 P08172 1/20 0.38

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
SCHEMBL7493728 0.94 SSTR5 (0.45) KCNH2TACR2SSTR5HRH1EED
SCHEMBL7495302 0.94 KCNH2 (0.42) KCNH2TACR2SSTR5HRH1
SCHEMBL7501522 0.94 HRH1 (0.43) KCNH2TACR2SSTR5HRH1EED
SCHEMBL7492951 0.94 TACR2 (0.42) KCNH2TACR2SSTR5HRH1EED
SCHEMBL7496857 0.94 KCNH2 (0.43) KCNH2TACR2SSTR5CCR5HRH1
SCHEMBL7495098 0.93 KCNH2 (0.48) KCNH2TACR2SSTR5HRH1EED
SCHEMBL7496275 0.93 CCR5 (0.42) KCNH2TACR2SSTR5CCR5HRH1
SCHEMBL7547633 0.93 TACR2 (0.49) TACR2
SCHEMBL7498024 0.92 TACR2 (0.47) TACR2CCR5
SCHEMBL7490395 0.92 KCNH2 (0.44) KCNH2TACR2SSTR5HRH1EED

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