SCHEMBL4752109

SCHEMBL4752109

CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1O[C@H](CCc2nnn[nH]2)[C@@H](O)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 14/20 0.54
▸ USP28 Q96RU2 1/20 0.36
▸ ADORA3 P0DMS8 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
SCHEMBL4750386 0.82 P2RY12 (0.73) P2RY12ADORA3
SCHEMBL4750389 0.82 P2RY12 (0.73) P2RY12ADORA3
SCHEMBL4228562 0.75 P2RY12 (0.69) P2RY12ADORA3
SCHEMBL4750414 0.75 P2RY12 (0.77) P2RY12USP28ADORA3
SCHEMBL4752579 0.75 P2RY12 (0.77) P2RY12USP28ADORA3
SCHEMBL4011274 0.75 P2RY12 (0.69) P2RY12ADORA3
SCHEMBL7478888 0.72 P2RY12 (0.78) P2RY12ADORA3
SCHEMBL7478894 0.72 P2RY12 (0.78) P2RY12ADORA3
SCHEMBL4012995 0.71 P2RY12 (0.54) P2RY12USP28
SCHEMBL2067079 0.71 P2RY12 (0.73) P2RY12ADORA3

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 2 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
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