SCHEMBL9992129

SCHEMBL9992129

CCOC(=O)ON1CCN(C(=O)[C@H](CN)NC(=O)c2cc(OC3CCCC3)nc(-c3ccccc3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.54

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
SCHEMBL9994711 0.93 P2RY12 (0.55) P2RY12
SCHEMBL9993065 0.93 P2RY12 (0.53) P2RY12
SCHEMBL9994767 0.93 P2RY12 (0.56) P2RY12
SCHEMBL9994690 0.93 P2RY12 (0.58) P2RY12
SCHEMBL9994245 0.92 P2RY12 (0.56) P2RY12
SCHEMBL2580174 0.92 P2RY12 (0.63) P2RY12
SCHEMBL2582567 0.92 P2RY12 (0.63) P2RY12
SCHEMBL9994649 0.91 P2RY12 (0.59) P2RY12
SCHEMBL9993852 0.91 P2RY12 (0.53) P2RY12
SCHEMBL9992921 0.91 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-1893634-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-21 EP claimed