SCHEMBL7495286

SCHEMBL7495286

CCOCCn1c(NC2CCN(CCC(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccc(OC)cc3)CC2)nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.51
HRH1 P35367 8/20 0.44
TACR2 P21452 3/20 0.44
SSTR5 P35346 3/20 0.44
EED O75530 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
MLNR O43193 1/20 0.44
CACNA1F O60840 1/20 0.44
USP2 O75604 1/20 0.44
ABCB11 O95342 1/20 0.44
EGFR P00533 1/20 0.44
HLA-A P04439 1/20 0.44
ERBB2 P04626 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CHRM2 P08172 1/20 0.44

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
SCHEMBL7494668 0.96 KCNH2 (0.49) KCNH2HRH1TACR2SSTR5EED
SCHEMBL7499627 0.95 HRH1 (0.47) KCNH2HRH1TACR2SSTR5
SCHEMBL7493089 0.94 SSTR5 (0.47) KCNH2HRH1TACR2SSTR5EED
SCHEMBL7502500 0.94 HRH1 (0.45) KCNH2HRH1TACR2SSTR5TACR1
SCHEMBL7495065 0.94 KCNH2 (0.46) KCNH2HRH1TACR2SSTR5EED
SCHEMBL7495454 0.94 HRH1 (0.47) KCNH2HRH1TACR2
SCHEMBL7492400 0.94 HRH1 (0.44) KCNH2HRH1TACR2SSTR5CHRM1
SCHEMBL7495098 0.93 KCNH2 (0.48) KCNH2HRH1TACR2SSTR5EED
SCHEMBL7494661 0.93 KCNH2 (0.52) KCNH2HRH1TACR2SSTR5EED
SCHEMBL7501964 0.93 HRH1 (0.43) KCNH2HRH1TACR2SSTR5CHRM1

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