SCHEMBL6978796

SCHEMBL6978796

CCOC(=O)C(CNC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1)c1ncco1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.48
ITGA2B P08514 8/20 0.48
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.43
NAMPT P43490 1/20 0.43
POLB P06746 1/20 0.43
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL6976784 0.84 POLB (0.52) ITGB3ITGA2BGAAMAPTPOLB
SCHEMBL6976581 0.82 ITGB3 (0.48) ITGB3ITGA2BGAAMAPTNAMPT
SCHEMBL7345363 0.80 ITGB3 (0.55) ITGB3ITGA2BGAAMAPTTSHR
SCHEMBL7347870 0.79 ITGB3 (0.57) ITGB3ITGA2BGAAMAPT
SCHEMBL7348941 0.79 ITGB3 (0.57) ITGB3ITGA2BGAAMAPT
SCHEMBL7421564 0.78 ITGB3 (0.50) ITGB3ITGA2BGAAMAPTTSHR
SCHEMBL7353542 0.72 ITGB3 (0.69) ITGB3ITGA2BGAAMAPTF2
SCHEMBL6980649 0.71 ADORA2A (0.41) ITGB3ITGA2BGAAMAPTNAMPT
SCHEMBL13714942 0.71 ITGB3 (0.70) ITGB3ITGA2BF2
SCHEMBL6978828 0.71 ITGB3 (0.48) ITGB3ITGA2BGAAMAPTPOLB

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