SCHEMBL22325834

SCHEMBL22325834

NC1(c2ccccc2)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
OPRM1 P35372 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
AKR1C1 Q04828 1/20 0.40
PNMT P11086 1/20 0.38
DRD4 P21917 1/20 0.38
TET3 O43151 1/20 0.37
FBXL19 Q6PCT2 1/20 0.37
CXXC5 Q7LFL8 1/20 0.37
TET1 Q8NFU7 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
CXXC4 Q9H2H0 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
GRIN1 Q05586 1/20 0.37
KCNH2 Q12809 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
SCHEMBL3391147 0.89 HSD11B1 (0.44) HSD11B1OPRM1KMT2AMEN1AKR1C1
SCHEMBL3393922 0.88 MEN1 (0.47) HSD11B1OPRM1KMT2AMEN1AKR1C1
SCHEMBL27993675 0.78 SIGMAR1 (0.39) HSD11B1OPRM1KMT2AMEN1CYP2D6
SCHEMBL20854804 0.77 CHRM5 (0.34)
SCHEMBL28536867 0.77 MEN1 (0.47) HSD11B1OPRM1KMT2AMEN1AKR1C1
SCHEMBL3433975 0.76 MEN1 (0.46) HSD11B1OPRM1KMT2AMEN1AKR1C1
SCHEMBL27197448 0.76 HSD11B1 (0.38) HSD11B1OPRM1KMT2AMEN1AKR1C1
SCHEMBL21683014 0.75 HSD11B1 (0.39) HSD11B1KMT2AMEN1CYP2D6SMN1; SMN2
SCHEMBL21683027 0.74 HSD11B1 (0.41) HSD11B1KMT2AMEN1CYP2D6SMN1; SMN2
SCHEMBL10322683 0.70 OPRM1 (0.47) HSD11B1OPRM1KMT2AMEN1AKR1C1

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-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 WO disclosed