SCHEMBL11968151

SCHEMBL11968151

CCNC(=O)[C@@H]1CCCN1C(=O)COc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(OC(=O)OCC)CC2)nn1-c1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.87

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
SCHEMBL11968050 0.95 P2RY12 (0.87) P2RY12
SCHEMBL11968084 0.95 P2RY12 (0.79) P2RY12
SCHEMBL11968036 0.94 P2RY12 (0.79) P2RY12
SCHEMBL11967811 0.94 P2RY12 (0.87) P2RY12
SCHEMBL11968200 0.94 P2RY12 (0.78) P2RY12
SCHEMBL11968243 0.93 P2RY12 (0.87) P2RY12
SCHEMBL954383 0.93 P2RY12 (1.00) P2RY12
SCHEMBL954382 0.93 P2RY12 (1.00) P2RY12
SCHEMBL11968213 0.93 P2RY12 (0.78) P2RY12
SCHEMBL11967975 0.93 P2RY12 (0.87) 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