SCHEMBL21742372

SCHEMBL21742372

CC(=O)OC(c1ccccn1)(C1CCC1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.37
CHRM3 P20309 2/20 0.37
AHR P35869 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM5 P41594 1/20 0.34
CETP P11597 4/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GPR119 Q8TDV5 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
CCR6 P51684 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL21742079 0.96 CHRM2 (0.36) CHRM2CHRM3AHRSMN1; SMN2L3MBTL1
SCHEMBL21742420 0.95 SMN1; SMN2 (0.37) CHRM3AHRSMN1; SMN2L3MBTL1CETP
SCHEMBL21742344 0.80 CHRM3 (0.39) CHRM2CHRM3SMN1; SMN2L3MBTL1GRM5
SCHEMBL21742386 0.80 CHRM3 (0.36) CHRM2CHRM3AHRSMN1; SMN2L3MBTL1
SCHEMBL21742202 0.80 CHRM3 (0.40) CHRM2CHRM3AHRSMN1; SMN2L3MBTL1
SCHEMBL21742398 0.79 CHRM2 (0.36) CHRM2CHRM3AHRSMN1; SMN2L3MBTL1
SCHEMBL21742345 0.77 CHRM2 (0.39) CHRM2CHRM3SMN1; SMN2L3MBTL1MEN1
SCHEMBL21742193 0.77 AHR (0.35) CHRM2CHRM3AHRSMN1; SMN2L3MBTL1
SCHEMBL21742330 0.77 CHRM3 (0.39) CHRM2CHRM3SMN1; SMN2L3MBTL1GRM5
SCHEMBL21742194 0.75 SMN1; SMN2 (0.47) CHRM2CHRM3AHRSMN1; SMN2L3MBTL1

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