SCHEMBL7285135

SCHEMBL7285135

N=C(N)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC(OCC(=O)O)CC2)nc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.82
ITGA2B P08514 16/20 0.82
CYP51A1 Q16850 1/20 0.42
CCKBR P32239 1/20 0.38
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PLG P00747 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38

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
SCHEMBL7293550 0.91 ITGB3 (0.68) ITGB3ITGA2BCYP51A1F2PLG
SCHEMBL7274759 0.91 ITGB3 (0.68) ITGB3ITGA2BCYP51A1F2PLG
Lamifiban SCHEMBL4683 0.90 ITGB3 (1.00) ITGB3ITGA2BCYP51A1F2PRSS1
Lamifiban SCHEMBL871446 0.90 ITGB3 (1.00) ITGB3ITGA2BCYP51A1F2PRSS1
SCHEMBL8881333 0.89 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL8690141 0.87 ITGB3 (0.62) ITGB3ITGA2BCYP51A1CCKBRF2
SCHEMBL7274714 0.84 ITGB3 (0.80) ITGB3ITGA2B
SCHEMBL7159286 0.84 ITGB3 (0.83) ITGB3ITGA2BF2PRSS1PLG
SCHEMBL7282972 0.83 ITGB3 (0.86) ITGB3ITGA2BF2PRSS1
SCHEMBL7284586 0.83 ITGB3 (0.82) ITGB3ITGA2BCYP51A1CCKBR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658928-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS,WOUND HEALING AGENTS, OSTEOPOROSIS HOFFMANN-LA ROCHE INC. (US) 1997-08-19 US claimed
EP-0505868-B1 N-Acyl-alpha-aminoacids derivatives HOFFMANN LA ROCHE (CH) 1995-09-13 EP claimed
EP-0505868-A2 N-Acyl-alpha-aminoacids derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-09-30 EP claimed
US-5658928-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS,WOUND HEALING AGENTS, OSTEOPOROSIS HOFFMANN-LA ROCHE INC. (US) 1997-08-19 US disclosed
US-5545658-A FOR TREATMENT OR PROPHYLAXIS OF ILLNESSES WHICH ARE CAUSED BY THE BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELETS AND BY BLOOD PLATELET AGGREGATION AND CELL-CELL ADHESION HOFFMAN-LA ROCHE INC. (US) 1996-08-13 US disclosed
EP-0505868-B1 N-Acyl-alpha-aminoacids derivatives HOFFMANN LA ROCHE (CH) 1995-09-13 EP disclosed
US-5378712-A Antithrombosis Hoffmann-La Roche Inc (US) 1995-01-03 US disclosed
EP-0505868-A2 N-Acyl-alpha-aminoacids derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-09-30 EP disclosed