SCHEMBL8107970

SCHEMBL8107970

N=C(N)c1ccc(N2CCC(NC(=O)NC[C@H](NC(=O)OCc3ccccc3)C(=O)O)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.55
ITGA2B P08514 11/20 0.55
ITGAV P06756 5/20 0.45
CTSK P43235 7/20 0.42
CTSB P07858 4/20 0.42
CTSS P25774 3/20 0.42
F2 P00734 2/20 0.42
PLG P00747 2/20 0.42
PLAU P00749 2/20 0.42
PLAT P00750 2/20 0.42
KLK8 O60259 1/20 0.42
F10 P00742 1/20 0.42
KLK4 Q9Y5K2 1/20 0.42
CTSL P07711 2/20 0.41

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
SCHEMBL8107961 1.00 ITGB3 (0.55) ITGB3ITGA2BITGAVCTSKCTSB
Trifluoroacetic Acid SCHEMBL8123138 0.96 ITGB3 (0.54) ITGB3ITGA2BITGAVCTSKCTSB
Trifluoroacetic Acid SCHEMBL8123141 0.96 ITGB3 (0.54) ITGB3ITGA2BITGAVCTSKCTSB
SCHEMBL8116534 0.92 ITGB3 (0.61) ITGB3ITGA2BCTSKCTSBCTSS
SCHEMBL8116529 0.92 ITGB3 (0.61) ITGB3ITGA2BCTSKCTSBCTSS
SCHEMBL8123145 0.90 ITGB3 (0.50) ITGB3ITGA2BCTSKCTSBCTSS
SCHEMBL7421587 0.86 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL8109889 0.86 ITGB3 (0.45) ITGB3ITGA2BITGAVCTSKCTSB
Trifluoroacetic Acid SCHEMBL8123151 0.83 ITGB3 (0.44) ITGB3ITGA2BITGAVCTSKCTSB
SCHEMBL9029468 0.79 ITGB3 (0.48) ITGB3ITGA2BF2PLGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP claimed