SCHEMBL11904733

SCHEMBL11904733

CCOCCOc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(OC(=O)OCC)CC2)nn1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.69

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
SCHEMBL11904523 0.93 P2RY12 (0.69) P2RY12
SCHEMBL11904740 0.93 P2RY12 (0.78) P2RY12
SCHEMBL11904561 0.92 P2RY12 (0.68) P2RY12
SCHEMBL1143698 0.92 P2RY12 (0.81) P2RY12
SCHEMBL1143696 0.92 P2RY12 (0.81) P2RY12
SCHEMBL11904626 0.91 P2RY12 (0.66) P2RY12
SCHEMBL11904410 0.91 P2RY12 (0.66) P2RY12
SCHEMBL11904443 0.91 P2RY12 (0.66) P2RY12
SCHEMBL11904818 0.90 P2RY12 (0.84) P2RY12
SCHEMBL11904739 0.90 P2RY12 (0.70) 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-2238127-B1 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-15 EP claimed