SCHEMBL6979088

SCHEMBL6979088

CCc1nccc(NC(=O)C2CC2C(=O)Nc2ccc(C(=N)N)cc2)c1CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.39
ITGA2B P08514 10/20 0.39
KLK5 Q9Y337 1/20 0.37
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TMPRSS6 Q8IU80 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35
F7 P08709 1/20 0.35

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
SCHEMBL6979099 0.84 ITGB3 (0.40) ITGB3ITGA2BKLK5
SCHEMBL9264739 0.77 ITGB3 (0.42) ITGB3ITGA2BKLK5F2PRSS1
SCHEMBL7352320 0.76 ITGB3 (0.45) ITGB3ITGA2BKLK5F2PRSS1
SCHEMBL9260554 0.76 ITGB3 (0.42) ITGB3ITGA2BKLK5F2PRSS1
SCHEMBL9257934 0.76 ITGB3 (0.42) ITGB3ITGA2BKLK5F2PRSS1
SCHEMBL9260001 0.74 F2 (0.37) ITGB3ITGA2BKLK5F2PRSS1
SCHEMBL9425678 0.72 ITGB3 (0.42) ITGB3ITGA2BKLK5F2PRSS1
SCHEMBL8788889 0.72 SHMT2 (0.39) ITGB3
SCHEMBL6972937 0.71 PARP1 (0.58) KLK5F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7351844 0.70 PARP1 (0.57) KLK5F2PRSS1PRSS2PRSS3

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 6 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
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