SCHEMBL6981209

SCHEMBL6981209

CCOC(=O)C(CNC(=O)CCC(=O)N(c1ccccc1)c1ccc(C(=N)N)cc1)c1ncc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F7 P08709 3/20 0.39
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
F10 P00742 3/20 0.36
PRSS1 P07477 3/20 0.36
TMPRSS15 P98073 4/20 0.35
KLK1 P06870 1/20 0.34
KLK5 Q9Y337 1/20 0.34
HTT P42858 1/20 0.34
F2 P00734 4/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6976581 0.84 ITGB3 (0.48) F7ITGB3ITGA2BKLK1KLK5
SCHEMBL6972650 0.84 ITGB3 (0.38) F7ITGB3ITGA2BF10TMPRSS15
SCHEMBL6983594 0.79 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL6982101 0.78 F7 (0.39) F7ITGB3ITGA2BF10PRSS1
SCHEMBL6985761 0.76 BRD4 (0.37) F7ALDH1A1
SCHEMBL6984634 0.73 ITGB3 (0.46) F7ITGB3ITGA2BF10TMPRSS15
SCHEMBL6978828 0.71 ITGB3 (0.48) F7ITGB3ITGA2BHTTALDH1A1
SCHEMBL6983606 0.71 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL6983954 0.71 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL9559169 0.70 ITGB3 (0.54) ITGB3ITGA2BF10PRSS1F2

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