SCHEMBL8624599

SCHEMBL8624599

CC(=O)c1cnc2c(c1)oc(=O)n2CC#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.35
KMO O15229 2/20 0.34
PDE1B Q01064 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CDY1; CDY1B Q9Y6F8 4/20 0.32
CDYL2 Q8N8U2 3/20 0.32
CBX7 O95931 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PDE4A P27815 1/20 0.31
ADORA2A P29274 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
EGFR P00533 1/20 0.31
CDYL Q9Y232 2/20 0.31

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
SCHEMBL8917032 0.88 CYP1A2 (0.36) KMOSIGMAR1SLC6A2HTR2ASLC6A4
SCHEMBL8627148 0.80 PDE4B (0.36) ADORA2BKMOCDY1; CDY1BCBX7KDM4E
SCHEMBL8626905 0.76 ALDH1A1 (0.43) ADORA2BPDE1BSIGMAR1SLC6A2HTR2A
SCHEMBL8918738 0.76 ALDH1A1 (0.50) SIGMAR1KDM4EALDH1A1
SCHEMBL8918560 0.75 LMNA (0.38) PDE1BSIGMAR1SLC6A2HTR2ASLC6A4
SCHEMBL8918139 0.67 HSD17B10 (0.38) KMOALDH1A1PDE4APDE4BPDE4C
SCHEMBL8917897 0.65 SIGMAR1 (0.42) SIGMAR1KDM4EALDH1A1
SCHEMBL8625701 0.64 ALDH1A1 (0.40) SIGMAR1KDM4EALDH1A1
SCHEMBL8625029 0.64 NPC1 (0.48) KDM4EALDH1A1
SCHEMBL23339264 0.62 SLC6A2 (0.48) SIGMAR1SLC6A2HTR2ASLC6A4SLC6A3

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
US-5767128-A ANALGESICS ADIR ET COMPAGNIE (FR) 1998-06-16 US disclosed
US-5618819-A ANALGESICS ADIR ET COMPAGNIE (FR) 1997-04-08 US disclosed
EP-0691339-A1 Amine derivatives of 1,3-dihydro-2H-pyrrolo(2,3-b)pyridin-2-ones and oxazolo(4,5-b)pyridin-2(3H)-ones, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-01-10 EP disclosed