SCHEMBL4750106

SCHEMBL4750106

CCCCN(C)c1nc(SCCC)nc2c1nnn2[C@@H]1O[C@H](/C=C/C(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 14/20 0.55
▸ ADORA3 P0DMS8 1/20 0.33
▸ P2RX3 P56373 1/20 0.31

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
SCHEMBL7477673 0.85 P2RY12 (0.58) P2RY12ADORA3P2RX3
SCHEMBL4750414 0.83 P2RY12 (0.77) P2RY12ADORA3
SCHEMBL4752579 0.83 P2RY12 (0.77) P2RY12ADORA3
SCHEMBL4752571 0.71 P2RY12 (0.59) P2RY12ADORA3
SCHEMBL4752617 0.66 P2RY12 (0.46) P2RY12ADORA3
SCHEMBL4750111 0.65 P2RY12 (0.77) P2RY12
SCHEMBL7472744 0.61 P2RY12 (0.64) P2RY12ADORA3
SCHEMBL4752113 0.60 P2RY12 (0.65) P2RY12ADORA3
SCHEMBL2067328 0.58 P2RY12 (0.47) P2RY12
SCHEMBL2067326 0.58 P2RY12 (0.47) P2RY12

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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