SCHEMBL7304168

SCHEMBL7304168

N=C(N)c1ccc(C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)nc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.44
ITGA2B P08514 10/20 0.44
MMP2 P08253 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
ACE P12821 2/20 0.42
PRSS1 P07477 4/20 0.41
TMPRSS15 P98073 4/20 0.41
FOLH1 Q04609 2/20 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
SCHEMBL7299599 0.88 ITGB3 (0.51) ITGB3ITGA2BACEPRSS1TMPRSS15
SCHEMBL9742835 0.88 ITGB3 (0.51) ITGB3ITGA2BACEPRSS1TMPRSS15
SCHEMBL7331194 0.85 BACE1 (0.44) ACEPRSS1TMPRSS15
Trifluoroacetic Acid SCHEMBL3040708 0.84 ITGB3 (0.50) ITGB3ITGA2BACEPRSS1TMPRSS15
SCHEMBL7304862 0.83 ITGB3 (0.51) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7303040 0.82 ITGB3 (0.55) ITGB3ITGA2BFOLH1
SCHEMBL13744704 0.81 ITGB3 (0.48) ITGB3ITGA2BMMP2MMP7MMP9
SCHEMBL7298590 0.81 PRSS1 (0.47) ITGB3ITGA2BACEPRSS1TMPRSS15
SCHEMBL13716864 0.79 ACE (0.49) ACEFOLH1
SCHEMBL13716830 0.79 L3MBTL1 (0.56) ITGB3ITGA2BMMP2MMP7MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP claimed
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-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP 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
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP disclosed