SCHEMBL459391

SCHEMBL459391

Cc1ccc(F)c([C@H]2CN(c3ncc(OCCC4CCN(C(=O)OCc5ccccc5)CC4)cn3)C[C@@H]2NC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.42
GRIN2B Q13224 7/20 0.38
CHRM4 P08173 3/20 0.37
YAP1 P46937 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
RORC P51449 2/20 0.37
GPR119 Q8TDV5 4/20 0.37

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
SCHEMBL458181 0.93 PDE4B (0.43) PDE4BGRIN2BCHRM4YAP1CYP3A4
SCHEMBL457195 0.92 PDE4B (0.42) PDE4BGRIN2BCHRM4YAP1CYP3A4
SCHEMBL458155 0.88 PDE4B (0.43) PDE4BGRIN2BCHRM4YAP1CYP3A4
SCHEMBL12064782 0.83 PDE4B (0.42) PDE4BYAP1RORCGPR119
SCHEMBL14730220 0.82 TP53 (0.45) PDE4BCHRM4RORC
SCHEMBL470782 0.81 PDE4B (0.42) PDE4BGRIN2BRORC
SCHEMBL12064593 0.81 PDE4B (0.42) PDE4BGRIN2BYAP1RORCGPR119
SCHEMBL14722527 0.79 PDE4B (0.41) PDE4BRORCGPR119
SCHEMBL460034 0.79 CHRM2 (0.38)
SCHEMBL14722228 0.78 PDE4B (0.42) PDE4BRORCGPR119

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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed