SCHEMBL11968044

SCHEMBL11968044

CCOC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3C[C@H](O)C[C@H]3C(=O)O)n(-c3ccccc3)n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.67

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
SCHEMBL11968037 1.00 P2RY12 (0.67) P2RY12
SCHEMBL11967908 0.96 P2RY12 (0.67) P2RY12
SCHEMBL11968030 0.95 P2RY12 (0.66) P2RY12
SCHEMBL953789 0.93 P2RY12 (0.78) P2RY12
SCHEMBL953324 0.93 P2RY12 (0.78) P2RY12
SCHEMBL953787 0.93 P2RY12 (0.78) P2RY12
SCHEMBL953326 0.93 P2RY12 (0.78) P2RY12
SCHEMBL11967805 0.92 P2RY12 (0.73) P2RY12
SCHEMBL11968200 0.90 P2RY12 (0.78) P2RY12
SCHEMBL11968165 0.89 P2RY12 (0.66) 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