SCHEMBL8313643

SCHEMBL8313643

CN(C)Cc1ccc(N2CC(CN3CCC(C(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.49
ITGB3 P05106 8/20 0.49
ITGA2B P08514 8/20 0.49
PRSS1 P07477 3/20 0.49
PRSS2 P07478 3/20 0.49
PRSS3 P35030 3/20 0.49
F2 P00734 3/20 0.49
SIGMAR1 Q99720 10/20 0.46

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
SCHEMBL8313647 0.87 SIGMAR1 (0.46) ITGB3ITGA2BSIGMAR1
SCHEMBL8948655 0.86 SIGMAR1 (0.44) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8310900 0.86 F10 (0.52) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948665 0.86 F10 (0.52) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948621 0.86 F10 (0.52) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL27446990 0.85 ITGB3 (0.51) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948719 0.83 ITGB3 (0.56) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948614 0.83 ITGB3 (0.56) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8314782 0.83 ITGB3 (0.56) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8315274 0.81 SIGMAR1 (0.43) ITGB3ITGA2BSIGMAR1

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
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed