SCHEMBL11968321

SCHEMBL11968321

O=C(N[C@H](C(=O)N1CCN(C(=O)O)CC1)C1CCCCC1)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.73

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
SCHEMBL11968324 1.00 P2RY12 (0.73) P2RY12
SCHEMBL11967925 0.98 P2RY12 (0.73) P2RY12
SCHEMBL11967928 0.98 P2RY12 (0.73) P2RY12
SCHEMBL955554 0.93 P2RY12 (0.85) P2RY12
SCHEMBL955553 0.93 P2RY12 (0.85) P2RY12
SCHEMBL952986 0.92 P2RY12 (0.69) P2RY12
SCHEMBL952985 0.92 P2RY12 (0.69) P2RY12
SCHEMBL952983 0.92 P2RY12 (0.69) P2RY12
SCHEMBL11967987 0.91 P2RY12 (0.87) P2RY12
SCHEMBL11968152 0.91 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