SCHEMBL7501522

SCHEMBL7501522

CCOCCn1c(NC2CCN(CCC(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccc(F)c(F)c3)CC2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.43
TACR2 P21452 9/20 0.43
KCNH2 Q12809 6/20 0.43
SSTR5 P35346 2/20 0.42
MEN1 O00255 1/20 0.39
MLNR O43193 1/20 0.39
CACNA1F O60840 1/20 0.39
EED O75530 1/20 0.39
USP2 O75604 1/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 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
CHRM2 P08172 1/20 0.39
CHRM4 P08173 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
SCHEMBL7499795 0.94 KCNH2 (0.41) HRH1TACR2KCNH2SSTR5MEN1
SCHEMBL7493089 0.94 SSTR5 (0.47) HRH1TACR2KCNH2SSTR5MEN1
SCHEMBL7498855 0.94 TACR2 (0.43) HRH1TACR2KCNH2SSTR5MEN1
SCHEMBL7495454 0.93 HRH1 (0.47) HRH1TACR2KCNH2
SCHEMBL7502500 0.93 HRH1 (0.45) HRH1TACR2KCNH2SSTR5TACR1
SCHEMBL7499627 0.93 HRH1 (0.47) HRH1TACR2KCNH2SSTR5
SCHEMBL7495057 0.92 HRH1 (0.44) HRH1TACR2KCNH2
SCHEMBL7495286 0.92 KCNH2 (0.51) HRH1TACR2KCNH2SSTR5MEN1
SCHEMBL7494646 0.92 TACR2 (0.51) TACR2
SCHEMBL7501951 0.92 SSTR5 (0.45) HRH1TACR2KCNH2SSTR5MEN1

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 2 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