SCHEMBL11968258

SCHEMBL11968258

CN(C(=O)[C@@H]1CCCN1C(=O)COc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)O)CC2)nn1-c1cccc(F)c1)C1CC1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.77

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
SCHEMBL952609 0.94 P2RY12 (0.88) P2RY12
SCHEMBL11968167 0.94 P2RY12 (0.67) P2RY12
SCHEMBL11968185 0.93 P2RY12 (0.88) P2RY12
SCHEMBL11968187 0.93 P2RY12 (0.88) P2RY12
SCHEMBL11968301 0.91 P2RY12 (0.77) P2RY12
SCHEMBL11968188 0.89 P2RY12 (0.76) P2RY12
SCHEMBL11968255 0.88 P2RY12 (0.78) P2RY12
SCHEMBL11967800 0.88 P2RY12 (0.74) P2RY12
SCHEMBL952106 0.88 P2RY12 (0.97) P2RY12
SCHEMBL11968252 0.88 P2RY12 (0.78) 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