SCHEMBL7388769

SCHEMBL7388769

C=CCC(NC(=O)NCCCCc1ccc(C(=N)N)cc1)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.44
ITGA2B P08514 5/20 0.44
F2 P00734 4/20 0.42
F10 P00742 4/20 0.42
ST14 Q9Y5Y6 2/20 0.40
PPID Q08752 2/20 0.40
FOLH1 Q04609 1/20 0.39
PRSS1 P07477 2/20 0.39
TGM2 P21980 1/20 0.38
KLK1 P06870 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
SCHEMBL9390316 0.89 FOLH1 (0.41) ITGB3ITGA2BF2F10PPID
SCHEMBL7383396 0.87 FOLH1 (0.52) ITGB3ITGA2BF10ST14FOLH1
SCHEMBL7383870 0.86 F2 (0.49) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7384711 0.84 F10 (0.42) ITGB3ITGA2BF2F10ST14
SCHEMBL7388772 0.82 F2 (0.51) ITGB3ITGA2BF2F10ST14
SCHEMBL7387824 0.79 ITGB3 (0.56) ITGB3ITGA2BST14
SCHEMBL7385409 0.79 F10 (0.46) ITGB3ITGA2BF2F10ST14
SCHEMBL8776989 0.78 F2 (0.49) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7387496 0.77 ITGB3 (0.54) ITGB3ITGA2BF2F10ST14
SCHEMBL7384715 0.76 ITGB3 (0.59) ITGB3ITGA2BF2F10ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5344837-A Platelet aggregation inhibitors G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
US-5272162-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-12-21 US disclosed