SCHEMBL3661708

SCHEMBL3661708

CC(C)(C)OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)O)n(-c2cccc(F)c2)n1)C(=O)N1CCN(C(=O)O)CC1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.60

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
SCHEMBL952072 0.93 P2RY12 (0.71) P2RY12
SCHEMBL952073 0.93 P2RY12 (0.71) P2RY12
SCHEMBL3659332 0.93 P2RY12 (0.54) P2RY12
SCHEMBL955256 0.86 P2RY12 (0.80) P2RY12
SCHEMBL955259 0.86 P2RY12 (0.80) P2RY12
SCHEMBL952088 0.86 P2RY12 (0.64) P2RY12
SCHEMBL952089 0.86 P2RY12 (0.64) P2RY12
SCHEMBL3663422 0.85 P2RY12 (0.66) P2RY12
SCHEMBL953883 0.85 P2RY12 (0.68) P2RY12
SCHEMBL953885 0.85 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