SCHEMBL6985069

SCHEMBL6985069

CCC(=O)Oc1nccc(CC)c1NC(=O)CCC(=O)Nc1c(F)cc(C(=N)N)cc1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 11/20 0.36
PRSS1 P07477 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 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
SCHEMBL6978248 0.79 ITGB3 (0.35) TMPRSS15ITGB3ITGA2B
SCHEMBL9259952 0.72 CYP2C19 (0.41) TMPRSS15PRSS1
SCHEMBL6984287 0.66 SHMT2 (0.47) ITGB3ITGA2B
SCHEMBL9558537 0.65 ITGB3 (0.53) PRSS1ITGB3ITGA2B
SCHEMBL7348433 0.64 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL6980236 0.64 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL6982396 0.64 ITGB3 (0.35) TMPRSS15ITGB3ITGA2B
SCHEMBL8077503 0.62 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL6983774 0.62 ADORA2A (0.40) TMPRSS15PRSS1ADORA2AADORA2BADORA1
SCHEMBL9558867 0.62 ITGB3 (0.69) ITGB3ITGA2B

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 7 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
EP-0630366-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. Searle & Co. (US) 1994-12-28 EP disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
WO-1993008164-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed