SCHEMBL9994474

SCHEMBL9994474

CCOC(=O)ON1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(C3CCC(=O)CC3)nc(-c3ccccc3)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.63

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
SCHEMBL9994291 0.95 P2RY12 (0.70) P2RY12
SCHEMBL9992400 0.94 P2RY12 (0.66) P2RY12
SCHEMBL2580106 0.93 P2RY12 (0.74) P2RY12
SCHEMBL2580109 0.93 P2RY12 (0.74) P2RY12
SCHEMBL9994401 0.92 P2RY12 (0.63) P2RY12
SCHEMBL9993645 0.92 P2RY12 (0.75) P2RY12
SCHEMBL9993083 0.91 P2RY12 (0.66) P2RY12
SCHEMBL9993915 0.90 P2RY12 (0.68) P2RY12
SCHEMBL9992393 0.90 P2RY12 (0.60) P2RY12
SCHEMBL9994667 0.88 P2RY12 (0.60) 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-1893634-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-21 EP claimed