SCHEMBL7497535

SCHEMBL7497535

COc1cc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccn3)CC2)c2ccc(Cl)cc2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.46
TACR2 P21452 9/20 0.44
SSTR5 P35346 3/20 0.43
KCNH2 Q12809 2/20 0.41
TACR1 P25103 3/20 0.40
EED O75530 2/20 0.40
MEN1 O00255 1/20 0.40
MLNR O43193 1/20 0.40
CACNA1F O60840 1/20 0.40
USP2 O75604 1/20 0.40
ABCB11 O95342 1/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
HLA-A P04439 1/20 0.40
ERBB2 P04626 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL7501186 0.95 HRH1 (0.48) HRH1TACR2SSTR5KCNH2TACR1
SCHEMBL7494931 0.94 HRH1 (0.49) HRH1TACR2SSTR5KCNH2TACR1
SCHEMBL7497445 0.94 TACR2 (0.52) HRH1TACR2
SCHEMBL7495953 0.94 HRH1 (0.45) HRH1TACR2SSTR5KCNH2TACR1
SCHEMBL7502476 0.94 HRH1 (0.49) HRH1TACR2SSTR5KCNH2TACR1
SCHEMBL7494412 0.94 HRH1 (0.46) HRH1TACR2SSTR5KCNH2TACR1
SCHEMBL7500082 0.93 HRH1 (0.45) HRH1TACR2SSTR5KCNH2TACR1
SCHEMBL7493359 0.93 HRH1 (0.45) HRH1TACR2SSTR5KCNH2TACR1
SCHEMBL7501325 0.92 HRH1 (0.43) HRH1TACR2SSTR5KCNH2TACR1
SCHEMBL7498139 0.92 HRH1 (0.44) HRH1TACR2SSTR5KCNH2TACR1

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