SCHEMBL8316871

SCHEMBL8316871

NCc1ccc(N2CC(CN3CCCC3)OC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.49
F10 P00742 1/20 0.49
GRM2 Q14416 2/20 0.47

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
SCHEMBL8311070 0.99 SIGMAR1 (0.48) SIGMAR1F10GRM2
SCHEMBL8315134 0.99 SIGMAR1 (0.48) SIGMAR1F10GRM2
SCHEMBL8311068 0.99 SIGMAR1 (0.48) SIGMAR1F10GRM2
SCHEMBL8310716 0.97 SIGMAR1 (0.49) SIGMAR1F10GRM2
SCHEMBL8313431 0.89 SIGMAR1 (0.47) SIGMAR1F10GRM2
SCHEMBL8316400 0.86 ITGB3 (0.50) SIGMAR1F10GRM2
SCHEMBL8314851 0.86 GRM2 (0.53) SIGMAR1F10GRM2
SCHEMBL8310900 0.85 F10 (0.52) SIGMAR1F10GRM2
SCHEMBL8948621 0.85 F10 (0.52) SIGMAR1F10GRM2
SCHEMBL8948665 0.85 F10 (0.52) SIGMAR1F10GRM2

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
CN-1052231-C Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2000-05-10 CN disclosed
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