SCHEMBL8311318

SCHEMBL8311318

NCc1ccc(N2CC(CN3CCCC(C(=O)O)C3)OC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.49
F2 P00734 3/20 0.49
ITGB3 P05106 7/20 0.45
ITGA2B P08514 7/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
SIGMAR1 Q99720 4/20 0.42
LTA4H P09960 3/20 0.41
GRM2 Q14416 1/20 0.41

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
SCHEMBL8948665 0.88 F10 (0.52) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8948621 0.88 F10 (0.52) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8310900 0.88 F10 (0.52) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8315424 0.86 ITGB3 (0.58) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8311319 0.85 SIGMAR1 (0.42) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8948743 0.84 GRM2 (0.50) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8316871 0.84 SIGMAR1 (0.49) F10SIGMAR1GRM2
SCHEMBL8310716 0.84 SIGMAR1 (0.49) F10SIGMAR1GRM2
SCHEMBL8948597 0.84 SIGMAR1 (0.40) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8948593 0.83 SIGMAR1 (0.41) F10F2ITGB3ITGA2BPRSS1

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 4 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
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed