SCHEMBL9601771

SCHEMBL9601771

CC(C)n1c(=O)c(=O)[nH]c2ccc(F)cc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.57
DAO P14920 2/20 0.47
KDM4E B2RXH2 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
POLB P06746 1/20 0.41
FEN1 P39748 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL2970468 0.84 PGR (0.78) PGRDAOPOLBFEN1MAOB
SCHEMBL29464129 0.84 PGR (0.78) PGRDAOPOLBFEN1MAOB
SCHEMBL9598853 0.81 PGR (0.53) PGRDAOPOLBMAOB
SCHEMBL30770202 0.79 GRIA1 (0.56) PGRDAOKDM4EOPRM1OPRL1
SCHEMBL8346146 0.78 PGR (0.40) PGRDAOKDM4EOPRM1OPRL1
SCHEMBL7282502 0.77 POLB (0.69) DAOKDM4EOPRM1OPRL1POLB
SCHEMBL31236070 0.77 POLB (0.69) DAOKDM4EOPRM1OPRL1POLB
SCHEMBL28836860 0.77 PGR (0.67) PGRDAOPOLBFEN1MAOB
SCHEMBL8145145 0.76 DAO (0.70) DAOKDM4EOPRM1OPRL1FEN1
SCHEMBL8346149 0.75 PGR (0.37) PGRDAOKDM4EOPRM1OPRL1

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
WO-1993012113-A1 3-SUBSTITUTED IMIDAZO (1,5-a) AND IMIDAZO (1,5-a)-TRIAZOLO (1,5-c) QUINOXALINES AND QUINAZOLINES WITH CNS ACTIVITY THE UPJOHN COMPANY (US) 1993-06-24 WO disclosed