SCHEMBL15663545

SCHEMBL15663545

CCOC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCC3)cc(-c3ccccc3)n2)CC1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.83

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
SCHEMBL15664099 0.93 P2RY12 (0.85) P2RY12
SCHEMBL316800 0.91 P2RY12 (0.98) P2RY12
SCHEMBL316801 0.91 P2RY12 (0.98) P2RY12
SCHEMBL15663503 0.91 P2RY12 (0.69) P2RY12
SCHEMBL15663768 0.90 P2RY12 (0.79) P2RY12
SCHEMBL15663732 0.90 P2RY12 (0.73) P2RY12
SCHEMBL15663460 0.90 P2RY12 (0.82) P2RY12
SCHEMBL15664280 0.89 P2RY12 (0.70) P2RY12
SCHEMBL15663775 0.88 P2RY12 (0.83) P2RY12
SCHEMBL15663436 0.88 P2RY12 (0.65) 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-2081903-B1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-05-07 EP claimed