SCHEMBL4750179

SCHEMBL4750179

CSCCNc1nc(SCCC(F)(F)F)nc2c1nnn2[C@H]1C[C@@H](/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)C(O)[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 20/20 0.75
▸ P2RY13 Q9BPV8 1/20 0.36
▸ GPR17 Q13304 1/20 0.36

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
SCHEMBL7486365 0.86 P2RY12 (1.00) P2RY12
SCHEMBL4750100 0.85 P2RY12 (0.95) P2RY12
SCHEMBL4750111 0.73 P2RY12 (0.77) P2RY12
SCHEMBL7507145 0.72 P2RY12 (0.84) P2RY12P2RY13
SCHEMBL8320422 0.72 P2RY12 (0.84) P2RY12P2RY13
SCHEMBL7507161 0.72 P2RY12 (0.84) P2RY12P2RY13
SCHEMBL4752949 0.72 P2RY12 (0.71) P2RY12
SCHEMBL7509311 0.71 P2RY12 (0.84) P2RY12P2RY13
SCHEMBL8322178 0.70 P2RY12 (0.85) P2RY12P2RY13
SCHEMBL7516954 0.70 P2RY12 (0.85) P2RY12P2RY13

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4084415-B2 — — 2008-04-30 — — JP claimed
EP-0840740-B1 NEW INHIBITORS OF PLATELET AGGREGATION ASTRAZENECA AB (SE) 2002-05-02 — — EP claimed
EP-0840740-B1 NEW INHIBITORS OF PLATELET AGGREGATION ASTRAZENECA AB (SE) 2002-05-02 — — EP disclosed
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