SCHEMBL4750111

SCHEMBL4750111

CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](/C=C/C(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 19/20 0.77

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
SCHEMBL4752949 0.96 P2RY12 (0.71) P2RY12
SCHEMBL4752113 0.91 P2RY12 (0.65) P2RY12
SCHEMBL7472744 0.90 P2RY12 (0.64) P2RY12
SCHEMBL7486365 0.87 P2RY12 (1.00) P2RY12
SCHEMBL6995281 0.85 P2RY12 (1.00) P2RY12
SCHEMBL6995290 0.85 P2RY12 (1.00) P2RY12
SCHEMBL4750100 0.85 P2RY12 (0.95) P2RY12
SCHEMBL7481731 0.83 P2RY12 (0.85) P2RY12
SCHEMBL7473880 0.83 P2RY12 (0.85) P2RY12
SCHEMBL7507767 0.83 P2RY12 (1.00) 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 3 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
US-6455322-B1 CONTACTING RECEPTOR WITH RADIOLIGAND AND CANDIATE LIGAND, THEN MEASURING AMOUNT BOUND TO LIGAND; RECEPTOR IS A G-PROTEIN COUPLED RECEPTOR FOR ADENOSINE-5'-DIPHOSPHATE IMPORTANT IN PLATELET FUNCTION ASTRAZENECA AB (SE) 2002-09-24 — — US disclosed
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