SCHEMBL5634698

SCHEMBL5634698

CC(O)CNCc1ccc2c(c1)CCC(C(N)=O)C2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
DRD3 P35462 6/20 0.38
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
DRD2 P14416 4/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL4795768 0.85 DRD3 (0.42) DRD3DRD2ITGB3ITGA2B
SCHEMBL4795276 0.84 DRD3 (0.39) DRD3DRD2ITGB3
SCHEMBL4795316 0.83 DRD3 (0.43) DRD3DRD2
SCHEMBL4792614 0.83 DRD3 (0.41) DRD3DRD2
SCHEMBL4778922 0.80 HDAC6 (0.47) CYP2D6CYP1A2DRD3OPRM1OPRK1
SCHEMBL5634701 0.80 CYP2D6 (0.41) CYP2D6ALDH1A1CYP1A2DRD3DRD2
SCHEMBL4794868 0.79 DRD3 (0.41) DRD3DRD2
SCHEMBL5935169 0.79 MCHR1 (0.39) DRD3DRD2ITGB3ITGA2B
SCHEMBL4792233 0.78 DRD3 (0.44) DRD3DRD2ITGB3ITGA2B
SCHEMBL4794024 0.77 DRD3 (0.42) DRD3OPRK1DRD2ITGB3ITGA2B

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
US-7304065-B2 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed