SCHEMBL7476970

SCHEMBL7476970

CC(C)(C)ON(C=O)CCc1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.49
DRD3 P35462 5/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
OPRK1 P41145 15/20 0.48
OPRM1 P35372 14/20 0.47
OPRD1 P41143 14/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 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
SCHEMBL4526988 0.83 MAOA (0.42)
SCHEMBL7463984 0.82 ESRRG (0.43) CHRM2CHRM1CHRM3
SCHEMBL6949347 0.82 TAAR1 (0.44) DRD3DRD1OPRM1CHRM2CHRM1
SCHEMBL27348016 0.79 OPRK1 (0.56) DRD2DRD3DRD1DRD4DRD5
SCHEMBL8552295 0.77 OPRK1 (0.53) DRD2DRD3DRD1DRD4DRD5
SCHEMBL7465544 0.74 CALM1 (0.41) CHRM2CHRM1CHRM3
SCHEMBL21810845 0.73 DRD2 (0.50) DRD2DRD3DRD1DRD4DRD5
SCHEMBL5741195 0.73 ALDH1A1 (0.41)
SCHEMBL6226054 0.73 CYP1A2 (0.39)
SCHEMBL4158364 0.72 OPRK1 (0.55) DRD2DRD3DRD1DRD4DRD5

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-0869949-B1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO MCNEIL PHARM INC (US) 2002-12-18 EP disclosed