SCHEMBL8151447

SCHEMBL8151447

COC(=O)Cc1c[nH]cc1OCC1CN(c2ccc(CNC(=N)N)cc2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.44
ITGB3 P05106 9/20 0.42
PRSS1 P07477 9/20 0.42
PRSS2 P07478 9/20 0.42
ITGA2B P08514 9/20 0.42
PRSS3 P35030 9/20 0.42
F2 P00734 1/20 0.42
GRM2 Q14416 8/20 0.40

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
SCHEMBL8145884 0.92 F10 (0.45) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8144678 0.89 GRM2 (0.46) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8151692 0.88 F10 (0.44) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8153571 0.88 F10 (0.44) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8151830 0.88 ITGB3 (0.47) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8153436 0.88 GRM2 (0.44) GRM2
SCHEMBL8152299 0.88 F10 (0.47) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8144454 0.86 F10 (0.45) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8143806 0.85 GRM2 (0.52) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8152669 0.85 GRM2 (0.46) F10ITGB3PRSS1PRSS2ITGA2B

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
US-6028090-A Adhesion receptor antagonists III MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-02-22 US disclosed
US-5723480-A Adhesion receptor antagonists III MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-03 US disclosed
US-5561148-A Adhesion receptor antagonists III MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) 1996-10-01 US disclosed