SCHEMBL13985487

SCHEMBL13985487

CC(C)(C)OC(=O)Nc1nc([C@H]2CC[C@@H](C(F)(F)F)CC2)n(-c2ccc(Cl)cc2)c(=O)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
DRD1 P21728 2/20 0.34
DRD5 P21918 2/20 0.34
DGAT1 O75907 1/20 0.34
USP14 P54578 1/20 0.34
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
CREBBP Q92793 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL13985298 0.82 BRD4 (0.37) CNR1CNR2DGAT1USP14BRD4
SCHEMBL13985494 0.82 MT-CO2 (0.34) CNR1CNR2DRD1DRD5MEN1
SCHEMBL4753709 0.79 DRD1 (0.40) DRD1DRD5BRD4BRD2BRD3
SCHEMBL4753713 0.79 DRD1 (0.40) DRD1DRD5BRD4BRD2BRD3
SCHEMBL4755225 0.77 DRD1 (0.40) CNR1CNR2DRD1DRD5MAPT
SCHEMBL4756551 0.77 DRD1 (0.40) CNR1CNR2DRD1DRD5MAPT
SCHEMBL4755228 0.77 DRD1 (0.40) CNR1CNR2DRD1DRD5MAPT
SCHEMBL13985493 0.75 CNR1 (0.35) CNR1CNR2DRD1DRD5USP14
SCHEMBL4755529 0.75 DRD1 (0.39) CNR1DRD1DRD5BRD4BRD2
SCHEMBL4755531 0.75 DRD1 (0.39) CNR1DRD1DRD5BRD4BRD2

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-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed