SCHEMBL11904494

SCHEMBL11904494

CCCOC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)C(C)(C)C)n(-c3ccccc3)n2)CC1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.78

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
SCHEMBL11904509 0.96 P2RY12 (0.76) P2RY12
SCHEMBL11904490 0.94 P2RY12 (0.85) P2RY12
SCHEMBL11904446 0.93 P2RY12 (0.80) P2RY12
SCHEMBL11904312 0.92 P2RY12 (0.81) P2RY12
SCHEMBL1143724 0.92 P2RY12 (0.90) P2RY12
SCHEMBL1143727 0.92 P2RY12 (0.90) P2RY12
SCHEMBL11904740 0.88 P2RY12 (0.78) P2RY12
SCHEMBL11904462 0.88 P2RY12 (0.75) P2RY12
SCHEMBL11904404 0.88 P2RY12 (0.72) P2RY12
SCHEMBL1143423 0.88 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238127-B1 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-15 EP claimed