SCHEMBL11968071

SCHEMBL11968071

CCOCCOC(=O)CCC(NC(=O)c1cc(OCC(=O)N2CCCC2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)N1CCN(C(=O)O)CC1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.78

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
SCHEMBL11968070 1.00 P2RY12 (0.78) P2RY12
SCHEMBL952033 0.96 P2RY12 (0.85) P2RY12
SCHEMBL952031 0.96 P2RY12 (0.85) P2RY12
SCHEMBL11967804 0.95 P2RY12 (0.84) P2RY12
SCHEMBL11967803 0.95 P2RY12 (0.84) P2RY12
SCHEMBL11967888 0.95 P2RY12 (0.85) P2RY12
SCHEMBL11967887 0.95 P2RY12 (0.85) P2RY12
SCHEMBL11967931 0.94 P2RY12 (0.85) P2RY12
SCHEMBL11967829 0.93 P2RY12 (0.75) P2RY12
SCHEMBL11967964 0.92 P2RY12 (0.77) 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