SCHEMBL21534682

SCHEMBL21534682

C=C(c1ccc(-c2ccc(CCC3CCN(CC(C)(C)F)CC3)c(C#N)c2)cc1F)N1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
CHRM4 P08173 3/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
MAOB P27338 2/20 0.32
KDM1A O60341 3/20 0.32
CHRM2 P08172 2/20 0.32
MELK Q14680 1/20 0.32
MAOA P21397 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL21534854 0.90 OPRM1 (0.40) HTR2AHTR2COPRM1OPRK1CHRM4
SCHEMBL21535147 0.90 IKBKE (0.38) HTR2AHTR2CIKBKETBK1OPRM1
SCHEMBL21534693 0.90 HTR2A (0.35) HTR2AHTR2CIKBKETBK1CHRM4
SCHEMBL21534666 0.85 CHRM4 (0.40) OPRM1OPRK1CHRM4MAOBCHRM2
SCHEMBL21534635 0.85 CHRM4 (0.40) OPRM1OPRK1CHRM4MAOBCHRM2
SCHEMBL21534881 0.84 OPRM1 (0.37) HTR2AHTR2COPRM1OPRK1CHRM4
SCHEMBL21534991 0.84 CHRM4 (0.40) CHRM4MAOBCHRM2MAOACHRM5
SCHEMBL21534890 0.83 HTR2A (0.38) HTR2AHTR2COPRM1OPRK1CHRM4
SCHEMBL21534641 0.82 OPRM1 (0.40) HTR2AHTR2COPRM1OPRK1CHRM4
SCHEMBL21535065 0.81 OPRM1 (0.39) HTR2AHTR2COPRM1OPRK1CHRM4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858986-B1 PIPERIDINE DERIVATIVES AS GPR119 AGONISTS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2019-10-30 EP disclosed