SCHEMBL1730712

SCHEMBL1730712

CCCCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c2cc(C3CC3)nc(-c3ccccc3)n2)CC1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.73

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
SCHEMBL1250735 1.00 P2RY12 (0.73) P2RY12
SCHEMBL2580402 0.94 P2RY12 (0.82) P2RY12
SCHEMBL2580409 0.94 P2RY12 (0.82) P2RY12
SCHEMBL2582902 0.91 P2RY12 (0.78) P2RY12
SCHEMBL2582901 0.91 P2RY12 (0.78) P2RY12
SCHEMBL2579957 0.91 P2RY12 (0.78) P2RY12
SCHEMBL2579954 0.91 P2RY12 (0.78) P2RY12
SCHEMBL1151036 0.91 P2RY12 (0.88) P2RY12
SCHEMBL1151037 0.91 P2RY12 (0.88) P2RY12
SCHEMBL1151386 0.90 P2RY12 (0.75) 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 disclosed