SCHEMBL21534846

SCHEMBL21534846

CN(C)C(=O)c1ccc(-c2ccc(CCC3CCN(CC(C)(C)F)CC3)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.44
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
RARB P10826 2/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
MCHR1 Q99705 1/20 0.38
FASN P49327 1/20 0.38
DYRK1A Q13627 6/20 0.38
WNT1 P04628 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
MAOB P27338 2/20 0.37
GSK3B P49841 2/20 0.36
PDK2 Q15119 1/20 0.36

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
SCHEMBL15537690 0.85 GPR119 (0.51) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL21534991 0.82 CHRM4 (0.40) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL21534833 0.81 CHRM4 (0.41) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL21534666 0.81 CHRM4 (0.40) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL21534635 0.81 CHRM4 (0.40) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL21534829 0.79 CHRM4 (0.40) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL21534821 0.79 CHRM4 (0.38) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL21534919 0.76 PARP1 (0.44) CHRM4
SCHEMBL15537663 0.76 CHRM4 (0.42) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL15537594 0.76 GPR119 (0.47) CHRM4CHRM2CHRM5CHRM1CHRM3

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