SCHEMBL7086286

SCHEMBL7086286

CCOC(=O)CC(NC(=O)C1CC1C(=O)Nc1ccc(C(=N)N)cc1)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.54
ITGA2B P08514 8/20 0.54
F2 P00734 6/20 0.42
F10 P00742 6/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
PRSS3 P35030 1/20 0.40
CYP3A4 P08684 1/20 0.39
ROCK2 O75116 1/20 0.39
NAMPT P43490 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7086294 1.00 ITGB3 (0.54) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9559140 0.89 ITGB3 (0.51) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7085479 0.88 ITGB3 (0.70) ITGB3ITGA2BCYP3A4
SCHEMBL6975938 0.88 ITGB3 (0.70) ITGB3ITGA2BCYP3A4
SCHEMBL9558494 0.86 ITGB3 (0.51) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6984596 0.84 ITGB3 (0.76) ITGB3ITGA2BF2
SCHEMBL7962529 0.84 ITGB3 (0.50) ITGB3ITGA2BNAMPTKMT2A
SCHEMBL9394430 0.83 ITGB3 (0.57) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7962531 0.83 ITGB3 (0.49) ITGB3ITGA2BF2
SCHEMBL9558989 0.82 F2 (0.51) ITGB3ITGA2BF2F10PRSS1

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 4 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
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