SCHEMBL7306757

SCHEMBL7306757

N=C(N)c1ccc(C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccc(OC(=O)C(F)(F)F)cc2)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 16/20 0.50
TMPRSS15 P98073 16/20 0.50
PTPN1 P18031 2/20 0.46
PTPN2 P17706 1/20 0.46
PTPRA P18433 1/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 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
SCHEMBL9582910 0.92 TMPRSS15 (0.49) PRSS1TMPRSS15ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL9222086 0.90 NPY4R (0.48) PRSS1TMPRSS15PTPN1PTPN2PTPRA
Trifluoroacetic Acid SCHEMBL3040708 0.88 ITGB3 (0.50) PRSS1TMPRSS15PTPN1PTPN2PTPRA
SCHEMBL7298590 0.87 PRSS1 (0.47) PRSS1TMPRSS15PTPN1PTPN2PTPRA
SCHEMBL9742835 0.85 ITGB3 (0.51) PRSS1TMPRSS15PTPN1PTPN2PTPRA
SCHEMBL7299599 0.85 ITGB3 (0.51) PRSS1TMPRSS15PTPN1PTPN2PTPRA
Trifluoroacetic Acid SCHEMBL9582897 0.81 ACE (0.51) PRSS1TMPRSS15ITGB3ITGA2B
SCHEMBL7332549 0.80 FOLH1 (0.49) PRSS1TMPRSS15ITGB3ITGA2B
SCHEMBL7303040 0.80 ITGB3 (0.55) PTPN1ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7308419 0.79 ITGB3 (0.46) ITGB3ITGA2B

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
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US claimed
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP disclosed
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US disclosed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP disclosed