SCHEMBL7511023

SCHEMBL7511023

CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1CC[C@@H](O)[C@H]1O.O=C(O)NCC(O)c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 19/20 0.57

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
SCHEMBL7505712 0.92 P2RY12 (0.54) P2RY12
SCHEMBL7515448 0.89 P2RY12 (0.60) P2RY12
SCHEMBL7512199 0.88 P2RY12 (0.59) P2RY12
SCHEMBL7508486 0.87 P2RY12 (0.61) P2RY12
SCHEMBL6997872 0.86 P2RY12 (0.68) P2RY12
SCHEMBL7510795 0.85 P2RY12 (0.68) P2RY12
SCHEMBL7506646 0.85 P2RY12 (0.68) P2RY12
Bicarbonate SCHEMBL7510959 0.85 P2RY12 (0.73) P2RY12
SCHEMBL7515280 0.84 P2RY12 (0.66) P2RY12
Carbamic Acid SCHEMBL7511690 0.83 P2RY12 (0.72) 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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