SCHEMBL3963775

SCHEMBL3963775

CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(CC(C)O)cc(-c3ccccc3)n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.68

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
SCHEMBL317257 0.90 P2RY12 (0.74) P2RY12
SCHEMBL317037 0.90 P2RY12 (0.68) P2RY12
SCHEMBL317036 0.90 P2RY12 (0.68) P2RY12
SCHEMBL317258 0.90 P2RY12 (0.74) P2RY12
SCHEMBL316542 0.89 P2RY12 (0.81) P2RY12
SCHEMBL316543 0.89 P2RY12 (0.81) P2RY12
SCHEMBL316678 0.89 P2RY12 (0.73) P2RY12
SCHEMBL316677 0.89 P2RY12 (0.73) P2RY12
SCHEMBL954682 0.88 P2RY12 (0.72) P2RY12
SCHEMBL954684 0.88 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081903-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-29 EP disclosed
WO-2008044217-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-17 WO disclosed