SCHEMBL21742079

SCHEMBL21742079

CC(=O)OC(c1ccccn1)(C1CCCCC1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.36
CHRM3 P20309 2/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NR1I2 O75469 1/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 4/20 0.35
CETP P11597 1/20 0.35
AHR P35869 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 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
SCHEMBL21742372 0.96 CHRM2 (0.37) CHRM2CHRM3KDM4EPKMMEN1
SCHEMBL21742420 0.94 SMN1; SMN2 (0.37) CHRM3KDM4ECETPAHRSMN1; SMN2
SCHEMBL21742202 0.81 CHRM3 (0.40) CHRM2CHRM3GAANR1I2CYP1A2
SCHEMBL21742053 0.81 CHRM2 (0.38) CHRM2CHRM3GAAKDM4EPKM
SCHEMBL21742173 0.80 MEN1 (0.37) CHRM2CHRM3KDM4ENR1I2CYP1A2
SCHEMBL21742345 0.79 CHRM2 (0.39) CHRM2CHRM3GAAKDM4EPKM
SCHEMBL21742391 0.78 NR1I2 (0.37) CHRM2CHRM3GAAKDM4ENR1I2
SCHEMBL21742205 0.78 MEN1 (0.38) CHRM2CHRM3GAANR1I2CYP1A2
SCHEMBL21742344 0.76 CHRM3 (0.39) CHRM2CHRM3KDM4EPKMMEN1
SCHEMBL21742220 0.76 MEN1 (0.36) CHRM2CHRM3NR1I2CYP1A2MEN1

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-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed