SCHEMBL11968166

SCHEMBL11968166

O=C(O)C[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NCC2CC2)n(-c2cccc(F)c2)n1)C(=O)N1CCN(C(=O)O)CC1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.65

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
SCHEMBL11968170 1.00 P2RY12 (0.65) P2RY12
SCHEMBL11968262 0.94 P2RY12 (0.74) P2RY12
SCHEMBL11968257 0.94 P2RY12 (0.74) P2RY12
SCHEMBL11968150 0.94 P2RY12 (0.73) P2RY12
SCHEMBL11967994 0.94 P2RY12 (0.73) P2RY12
SCHEMBL956418 0.93 P2RY12 (0.76) P2RY12
SCHEMBL11968157 0.93 P2RY12 (0.65) P2RY12
SCHEMBL11968160 0.93 P2RY12 (0.65) P2RY12
SCHEMBL11968227 0.92 P2RY12 (0.61) P2RY12
SCHEMBL952608 0.87 P2RY12 (0.86) 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-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP claimed