SCHEMBL4752583

SCHEMBL4752583

CCCCCSc1nc(NCCCC)c2nnn([C@@H]3C[C@H](CCC(=O)O)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 19/20 0.71

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
SCHEMBL4752624 0.96 P2RY12 (0.78) P2RY12
SCHEMBL4752613 0.94 P2RY12 (0.62) P2RY12
SCHEMBL4750403 0.85 P2RY12 (0.73) P2RY12
SCHEMBL4750405 0.85 P2RY12 (0.73) P2RY12
SCHEMBL6994857 0.84 P2RY12 (0.74) P2RY12
SCHEMBL7475374 0.83 P2RY12 (0.86) P2RY12
SCHEMBL6999864 0.83 P2RY12 (1.00) P2RY12
SCHEMBL6995474 0.83 P2RY12 (1.00) P2RY12
SCHEMBL6995464 0.83 P2RY12 (1.00) P2RY12
SCHEMBL7486056 0.83 P2RY12 (0.67) 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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