SCHEMBL4968004

SCHEMBL4968004

CCOC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2cc(Cl)nc(-c3ccccc3)n2)C(C)C)CC1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 19/20 0.65
LMNA P02545 1/20 0.56

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
SCHEMBL9993796 1.00 P2RY12 (0.65) P2RY12LMNA
SCHEMBL523658 0.92 P2RY12 (0.59) P2RY12
SCHEMBL523657 0.92 P2RY12 (0.59) P2RY12
SCHEMBL523673 0.92 P2RY12 (0.56) P2RY12LMNA
SCHEMBL523672 0.92 P2RY12 (0.56) P2RY12LMNA
SCHEMBL2584638 0.91 P2RY12 (0.74) P2RY12
SCHEMBL2584635 0.91 P2RY12 (0.74) P2RY12
SCHEMBL2582592 0.88 P2RY12 (0.77) P2RY12
SCHEMBL2582588 0.88 P2RY12 (0.77) P2RY12
SCHEMBL2579413 0.87 P2RY12 (0.72) 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 3 patents. 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 disclosed
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2006114774-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-11-02 WO disclosed