SCHEMBL1728247

SCHEMBL1728247

CCCCOC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@H]3C[C@@H]3COC)nc(-c3ccc(F)cc3)n2)CC1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.77

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
SCHEMBL1729628 0.95 P2RY12 (0.85) P2RY12
SCHEMBL1729791 0.95 P2RY12 (0.85) P2RY12
SCHEMBL1729722 0.95 P2RY12 (0.85) P2RY12
SCHEMBL1253045 0.92 P2RY12 (0.90) P2RY12
SCHEMBL1253044 0.92 P2RY12 (0.90) P2RY12
SCHEMBL1151677 0.92 P2RY12 (0.90) P2RY12
SCHEMBL1151680 0.92 P2RY12 (0.90) P2RY12
SCHEMBL1729200 0.88 P2RY12 (0.77) P2RY12
SCHEMBL1151163 0.87 P2RY12 (1.00) P2RY12
SCHEMBL1151164 0.87 P2RY12 (1.00) 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-2283011-B1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-11-23 EP claimed