SCHEMBL9414213

SCHEMBL9414213

CCCc1cc(=O)n(CCN)c(=O)n1Cc1ccccc1-c1ccccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.48
PPARG P37231 1/20 0.43
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM2 Q14416 1/20 0.34

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
SCHEMBL9414287 0.91 PPARG (0.44) DPP4PPARGOPRM1OPRK1GRIN1
SCHEMBL9414225 0.88 PPARG (0.42) DPP4PPARGOPRM1OPRK1GRIN1
SCHEMBL9414278 0.87 DPP4 (0.46) DPP4PPARGOPRM1OPRK1GRIN1
SCHEMBL9414218 0.87 PPARG (0.51) DPP4PPARGKMT2A
SCHEMBL9414221 0.85 DPP4 (0.43) DPP4PPARGOPRM1OPRK1GRIN1
SCHEMBL9414242 0.82 PPARG (0.44) DPP4PPARGGRIN1GRIN2B
SCHEMBL9414228 0.82 PPARG (0.41) DPP4PPARGGRIN1GRIN2B
SCHEMBL9414215 0.82 DPP4 (0.41) DPP4PPARGGRIN1GRIN2B
SCHEMBL9414243 0.81 DPP4 (0.45) DPP4PPARGOPRM1OPRK1GRIN1
SCHEMBL9414238 0.81 ADORA2A (0.44) DPP4PPARGGRIN1GRIN2B

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-0589201-A1 Di- and triazindeones MERCK PATENT GmbH (DE) 1994-03-30 EP disclosed