SCHEMBL7508431

SCHEMBL7508431

CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](C(=O)NCCc2ccc(O)cc2)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 18/20 0.57
▸ USP28 Q96RU2 1/20 0.42

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
SCHEMBL7511124 0.89 P2RY12 (0.71) P2RY12USP28
SCHEMBL7511128 0.89 P2RY12 (0.71) P2RY12USP28
SCHEMBL7510370 0.87 P2RY12 (0.64) P2RY12USP28
SCHEMBL7516295 0.86 P2RY12 (0.64) P2RY12USP28
SCHEMBL7996482 0.86 P2RY12 (0.64) P2RY12USP28
SCHEMBL7515643 0.86 P2RY12 (0.73) P2RY12USP28
SCHEMBL7507775 0.85 P2RY12 (0.73) P2RY12USP28
SCHEMBL7514368 0.85 P2RY12 (0.58) P2RY12USP28
SCHEMBL7510502 0.84 P2RY12 (0.57) P2RY12USP28
SCHEMBL7508816 0.82 P2RY12 (0.72) P2RY12USP28

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
EP-0946561-B1 TRIAZOLO(4,5-D)PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2002-02-13 — — EP disclosed
US-6297232-B1 TREATMENT OF PLATELET AGGREGATION DISORDERS. ASTRAZENECA AB (SE) 2001-10-02 — — US disclosed
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