SCHEMBL8454752

SCHEMBL8454752

CC(C)(C)OC(=O)OC1CCCCN1CC1CN(c2ccc(C#N)cc2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.46
AR P10275 1/20 0.38
F10 P00742 1/20 0.36
SIGMAR1 Q99720 4/20 0.36
GPR119 Q8TDV5 2/20 0.36

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
SCHEMBL8452312 0.97 GRM2 (0.46) GRM2ARF10SIGMAR1GPR119
SCHEMBL8448358 0.89 GRM2 (0.48) GRM2F10SIGMAR1
SCHEMBL8450720 0.86 GRM2 (0.49) GRM2F10SIGMAR1
SCHEMBL8948606 0.86 GRM2 (0.47) GRM2ARF10SIGMAR1
SCHEMBL8453560 0.84 GRM2 (0.46) GRM2ARSIGMAR1GPR119
SCHEMBL8456598 0.84 GRM2 (0.42) GRM2SIGMAR1
SCHEMBL8458494 0.83 GRM2 (0.48) GRM2ARSIGMAR1
SCHEMBL8948811 0.83 GRM2 (0.48) GRM2ARF10SIGMAR1
SCHEMBL8448374 0.83 GRM2 (0.48) GRM2ARSIGMAR1
SCHEMBL8458262 0.81 GRM2 (0.42) GRM2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623615-B1 Substituted 1-phenyl-oxazolidin-2-one derivatives, their preparation and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 1999-06-30 EP disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed