SCHEMBL7498052

SCHEMBL7498052

COc1ccc(OC(F)(F)F)c(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3CC(F)(F)F)CC2)c2ccc(F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.47
SSTR5 P35346 5/20 0.47
TACR2 P21452 3/20 0.47
TACR1 P25103 3/20 0.47
HRH1 P35367 3/20 0.47
EED O75530 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
HRH4 Q9H3N8 2/20 0.47
MEN1 O00255 1/20 0.47
MLNR O43193 1/20 0.47
CACNA1F O60840 1/20 0.47
USP2 O75604 1/20 0.47
ABCB11 O95342 1/20 0.47
EGFR P00533 1/20 0.47
HLA-A P04439 1/20 0.47
ERBB2 P04626 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
LCK P06239 1/20 0.47

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
SCHEMBL7491244 0.94 KCNH2 (0.46) KCNH2SSTR5TACR2TACR1HRH1
SCHEMBL7495266 0.94 KCNH2 (0.57) KCNH2SSTR5TACR2TACR1HRH1
SCHEMBL7493000 0.93 KCNH2 (0.46) KCNH2SSTR5TACR2TACR1HRH1
SCHEMBL7497456 0.93 KCNH2 (0.45) KCNH2SSTR5TACR2TACR1HRH1
SCHEMBL7501882 0.92 TACR2 (0.48) KCNH2TACR2TACR1TACR3
SCHEMBL7494166 0.92 KCNH2 (0.46) KCNH2SSTR5TACR2TACR1HRH1
SCHEMBL7494236 0.92 KCNH2 (0.46) KCNH2SSTR5TACR2TACR1HRH1
SCHEMBL7498673 0.92 KCNH2 (0.51) KCNH2SSTR5TACR2TACR1HRH1
SCHEMBL7497968 0.90 KCNH2 (0.47) KCNH2SSTR5TACR2TACR1HRH1
SCHEMBL7495512 0.90 KCNH2 (0.49) KCNH2SSTR5TACR2TACR1HRH1

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