SCHEMBL6980649

SCHEMBL6980649

CCOC(=O)C(CNC(=O)CCC(=O)Nc1ccc(C(=N)N)c(C)c1)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.41
GAA P10253 1/20 0.39
F7 P08709 2/20 0.38
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
NAMPT P43490 2/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PLG P00747 1/20 0.35
F3 P13726 1/20 0.35
POLB P06746 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
SCHEMBL6982666 0.81 ADORA2A (0.41) ADORA2AGAAF7ITGB3ITGA2B
SCHEMBL6984634 0.79 ITGB3 (0.46) F7ITGB3ITGA2BKMT2AF2
SCHEMBL6979019 0.77 ITGB3 (0.39) GAAITGB3ITGA2BMAPTNAMPT
SCHEMBL6977286 0.77 ITGB3 (0.53) ADORA2AF7ITGB3ITGA2BCYP2C19
SCHEMBL6972650 0.76 ITGB3 (0.38) F7ITGB3ITGA2BKMT2AF2
SCHEMBL9262142 0.76 F7 (0.43) GAAF7ITGB3ITGA2BNPC1
SCHEMBL9264604 0.74 F7 (0.41) GAAF7NPC1RAB9ANAMPT
SCHEMBL7086228 0.73 ITGB3 (0.39) ITGB3ITGA2BSMN1; SMN2KMT2APOLB
SCHEMBL6985594 0.73 ITGB3 (0.39) GAAITGB3ITGA2BMAPTKMT2A
SCHEMBL6976581 0.72 ITGB3 (0.48) GAAF7ITGB3ITGA2BMAPT

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