SCHEMBL6982101

SCHEMBL6982101

CCOC(=O)C(CNC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1F)c1ncc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.39
FPR2 P25090 1/20 0.38
TMPRSS15 P98073 7/20 0.38
PLAU P00749 1/20 0.38
HPN P05981 1/20 0.38
F10 P00742 4/20 0.37
PRSS1 P07477 2/20 0.37
TP53 P04637 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
KLK1 P06870 1/20 0.35
KLK5 Q9Y337 1/20 0.35
F2 P00734 1/20 0.34

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
SCHEMBL6979842 0.90 FPR2 (0.38) F7FPR2TMPRSS15PLAUHPN
SCHEMBL6976581 0.86 ITGB3 (0.48) F7ITGB3ITGA2BKLK1KLK5
SCHEMBL6982666 0.84 ADORA2A (0.41) F7TMPRSS15PLAUHPNF10
SCHEMBL6985761 0.81 BRD4 (0.37) F7TP53
SCHEMBL6981209 0.78 F7 (0.39) F7TMPRSS15F10PRSS1ITGB3
SCHEMBL6980170 0.72 KLK1 (0.39) PLAUHPNF10PRSS1TP53
SCHEMBL7421564 0.71 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL7345363 0.71 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL6982365 0.70 ALDH1A1 (0.34)
SCHEMBL6978796 0.69 ITGB3 (0.48) F10ITGB3ITGA2BF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630366-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-01-02 EP disclosed
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP disclosed
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed