SCHEMBL5317210

SCHEMBL5317210

CCCC(=O)c1cnc(N2CCN(C(=O)O)CC2)c(Cl)c1.CON(C)C(=O)c1cnc(N2CCN(C(=O)O)C(C(C)(C)C)C2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 19/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4499790 0.88 P2RY12 (0.47) P2RY12
SCHEMBL4109436 0.81 P2RY12 (0.53) P2RY12
SCHEMBL4098095 0.79 P2RY12 (0.61) P2RY12MEN1KMT2A
SCHEMBL2420272 0.73 NR1H2 (0.51) P2RY12MEN1KMT2A
SCHEMBL5592419 0.73 SMN1; SMN2 (0.47) P2RY12MEN1KMT2A
SCHEMBL4105686 0.72 P2RY12 (0.58) P2RY12MEN1KMT2A
SCHEMBL5592423 0.72 P2RY12 (0.52) P2RY12MEN1KMT2A
SCHEMBL4500021 0.71 CXCR3 (0.43) P2RY12
SCHEMBL4518854 0.70 CXCR3 (0.44) P2RY12
SCHEMBL24215438 0.70 SMN1; SMN2 (0.45) P2RY12MEN1KMT2A

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-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed