SCHEMBL7512199

SCHEMBL7512199

CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1CC[C@@H](O)[C@H]1O.O=C(O)NCCc1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 18/20 0.59
▸ USP28 Q96RU2 1/20 0.40

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
SCHEMBL7515448 0.93 P2RY12 (0.60) P2RY12USP28
SCHEMBL7511023 0.88 P2RY12 (0.57) P2RY12
SCHEMBL7515280 0.88 P2RY12 (0.66) P2RY12
SCHEMBL6997872 0.88 P2RY12 (0.68) P2RY12
SCHEMBL7001051 0.88 P2RY12 (0.56) P2RY12USP28
SCHEMBL7514827 0.87 P2RY12 (0.57) P2RY12USP28
Bicarbonate SCHEMBL7510959 0.87 P2RY12 (0.73) P2RY12USP28
SCHEMBL7000586 0.87 P2RY12 (0.61) P2RY12USP28
SCHEMBL7513822 0.86 P2RY12 (0.57) P2RY12USP28
SCHEMBL7510820 0.86 P2RY12 (0.57) 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 1 patent. 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 claimed
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