SCHEMBL3660186

SCHEMBL3660186

O=C(O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NCC(F)F)n(-c2ccc(F)c(F)c2)n1)C(=O)N1CCN(C(=O)O)CC1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.72

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
SCHEMBL11967986 1.00 P2RY12 (0.72) P2RY12
SCHEMBL954396 0.93 P2RY12 (0.79) P2RY12
SCHEMBL954394 0.93 P2RY12 (0.79) P2RY12
SCHEMBL11967882 0.93 P2RY12 (0.66) P2RY12
SCHEMBL3657026 0.93 P2RY12 (0.68) P2RY12
SCHEMBL3660778 0.93 P2RY12 (0.72) P2RY12
SCHEMBL11968225 0.93 P2RY12 (0.82) P2RY12
SCHEMBL11968277 0.93 P2RY12 (0.82) P2RY12
SCHEMBL11967800 0.92 P2RY12 (0.74) P2RY12
SCHEMBL11967801 0.92 P2RY12 (0.74) 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
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP claimed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP claimed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO claimed