SCHEMBL4752579

SCHEMBL4752579

CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1O[C@H](/C=C\C(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 16/20 0.77
▸ USP28 Q96RU2 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37

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
SCHEMBL4750414 1.00 P2RY12 (0.77) P2RY12USP28ADORA3ADORA2BADORA1
SCHEMBL4752571 0.86 P2RY12 (0.59) P2RY12ADORA3ADORA2BADORA1
SCHEMBL7477673 0.85 P2RY12 (0.58) P2RY12ADORA3
SCHEMBL4750106 0.83 P2RY12 (0.55) P2RY12ADORA3
SCHEMBL4750111 0.82 P2RY12 (0.77) P2RY12
SCHEMBL4752949 0.78 P2RY12 (0.71) P2RY12
Bicarbonate SCHEMBL7510959 0.76 P2RY12 (0.73) P2RY12USP28
SCHEMBL6995281 0.75 P2RY12 (1.00) P2RY12ADORA3
SCHEMBL6995290 0.75 P2RY12 (1.00) P2RY12ADORA3
SCHEMBL4752109 0.75 P2RY12 (0.54) P2RY12USP28ADORA3

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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