SCHEMBL7494473

SCHEMBL7494473

COc1cc(C(=O)N(C)CC(CCN2CCC(Nc3nc4ccccc4n3Cc3ccco3)CC2)c2ccc(Cl)cc2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.46
TACR2 P21452 13/20 0.42
SSTR5 P35346 3/20 0.42
KCNH2 Q12809 3/20 0.40
EED O75530 2/20 0.40
TACR1 P25103 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
SCHEMBL7502025 0.95 HRH1 (0.48) HRH1TACR2SSTR5KCNH2EED
SCHEMBL7496308 0.95 KCNH2 (0.47) HRH1TACR2SSTR5KCNH2EED
SCHEMBL7492105 0.94 TACR2 (0.50) HRH1TACR2TACR1TACR3
SCHEMBL7492025 0.94 HRH1 (0.46) HRH1TACR2SSTR5KCNH2EED
SCHEMBL7491892 0.94 SSTR5 (0.48) HRH1TACR2SSTR5KCNH2EED
SCHEMBL7497838 0.93 HRH1 (0.46) HRH1TACR2SSTR5KCNH2EED
SCHEMBL7494603 0.93 HRH1 (0.44) HRH1TACR2SSTR5KCNH2EED
SCHEMBL7491197 0.91 HRH1 (0.45) HRH1TACR2SSTR5KCNH2EED
SCHEMBL7494768 0.91 TACR2 (0.42) HRH1TACR2SSTR5KCNH2EED
SCHEMBL7502092 0.91 TACR2 (0.49) TACR2

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