SCHEMBL7497976

SCHEMBL7497976

COc1cc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3Cc3ccncc3)CC2)c2cccc(Cl)c2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.46
HRH1 P35367 2/20 0.44
TACR2 P21452 8/20 0.43
KCNH2 Q12809 5/20 0.43
EED O75530 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
MLNR O43193 1/20 0.43
CACNA1F O60840 1/20 0.43
USP2 O75604 1/20 0.43
ABCB11 O95342 1/20 0.43
EGFR P00533 1/20 0.43
HLA-A P04439 1/20 0.43
ERBB2 P04626 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
CHRM2 P08172 1/20 0.43

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
SCHEMBL7495400 0.94 SSTR5 (0.48) SSTR5HRH1TACR2KCNH2EED
SCHEMBL7494221 0.94 HRH1 (0.46) SSTR5HRH1TACR2KCNH2EED
SCHEMBL7496540 0.93 SSTR5 (0.54) SSTR5HRH1TACR2KCNH2EED
SCHEMBL7496872 0.93 TACR2 (0.52) TACR2
SCHEMBL7502374 0.92 SSTR5 (0.44) SSTR5HRH1TACR2KCNH2EED
SCHEMBL7495953 0.92 HRH1 (0.45) SSTR5HRH1TACR2KCNH2EED
SCHEMBL7496922 0.92 KCNH2 (0.51) SSTR5HRH1TACR2KCNH2EED
SCHEMBL7503205 0.91 TACR2 (0.51) SSTR5TACR2KCNH2
SCHEMBL7496273 0.91 SSTR5 (0.54) SSTR5HRH1TACR2KCNH2EED
SCHEMBL7489899 0.91 TACR2 (0.47) TACR2CCR5

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