SCHEMBL3663422

SCHEMBL3663422

CC(C)(C)OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)OCc2ccccc2)n(-c2ccccc2)n1)C(=O)N1CCN(C(=O)O)CC1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.66

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
SCHEMBL951150 0.94 P2RY12 (0.76) P2RY12
SCHEMBL951151 0.94 P2RY12 (0.76) P2RY12
SCHEMBL955319 0.91 P2RY12 (0.68) P2RY12
SCHEMBL955321 0.91 P2RY12 (0.68) P2RY12
SCHEMBL1143793 0.89 P2RY12 (0.76) P2RY12
SCHEMBL1143790 0.89 P2RY12 (0.76) P2RY12
SCHEMBL952156 0.89 P2RY12 (0.69) P2RY12
SCHEMBL1143564 0.88 P2RY12 (0.84) P2RY12
SCHEMBL1143566 0.88 P2RY12 (0.84) P2RY12
SCHEMBL953883 0.88 P2RY12 (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO disclosed