SCHEMBL8580667

SCHEMBL8580667

CC(C)(C)C(=O)C[C@@H](NC(=O)C(C)(C)C)C(=O)S

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8582123 0.85 KDM4E (0.42)
SCHEMBL8580669 0.79 SMN1; SMN2 (0.32) CNR2NPSR1
SCHEMBL24263122 0.74 CNR2 (0.34) CNR2NPSR1
SCHEMBL24263116 0.74 CNR2 (0.34) CNR2NPSR1
SCHEMBL19756282 0.73 GRIA1 (0.44)
SCHEMBL20623017 0.73 GRIA1 (0.37)
SCHEMBL24263148 0.72 CNR2 (0.37) CNR2NPSR1
SCHEMBL24263151 0.72 CNR2 (0.37) CNR2NPSR1
SCHEMBL19756273 0.71 KDM4E (0.36) CNR2
SCHEMBL24262982 0.71 CA1 (0.37) CNR2NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705527-A VASODILATORS AND ANGINA PECTORIS SANKYO COMPANY, LIMITED (JP) 1998-01-06 US disclosed
EP-0641769-B1 AMINO ACID DERIVATIVE SANKYO CO (JP) 1997-01-29 EP disclosed
EP-0641769-A1 AMINO ACID DERIVATIVE SANKYO COMPANY LIMITED (JP) 1995-03-08 EP disclosed