SCHEMBL8317191

SCHEMBL8317191

CCOC(=O)CCN1CCN(CC2CN(c3ccc(C(=N)N)cc3)C(=O)O2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.62
ITGA2B P08514 11/20 0.62
PRSS1 P07477 9/20 0.57
PRSS2 P07478 9/20 0.57
PRSS3 P35030 9/20 0.57
F10 P00742 8/20 0.55
F2 P00734 1/20 0.46
SIGMAR1 Q99720 6/20 0.44
GRM2 Q14416 1/20 0.43

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
SCHEMBL8948635 0.91 ITGB3 (0.75) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948638 0.91 ITGB3 (0.75) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948633 0.91 ITGB3 (0.75) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8318129 0.90 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6601266 0.88 ITGB3 (0.59) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8315051 0.86 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8316189 0.86 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8314798 0.86 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948628 0.86 ITGB3 (0.57) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6604681 0.86 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3

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
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