SCHEMBL21742386

SCHEMBL21742386

CCOC(c1ccccn1)(C1CCC1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.36
CHRM2 P08172 3/20 0.36
AHR P35869 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.33
HCRTR1 O43613 1/20 0.33
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GRM5 P41594 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
NOS2 P35228 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
SCHEMBL21742388 0.96 SMN1; SMN2 (0.37) CHRM3CHRM2AHRSMN1; SMN2L3MBTL1
SCHEMBL21742398 0.90 CHRM2 (0.36) CHRM3CHRM2AHRSMN1; SMN2L3MBTL1
SCHEMBL21742205 0.88 MEN1 (0.38) CHRM3CHRM2AHRSMN1; SMN2L3MBTL1
SCHEMBL21742173 0.86 MEN1 (0.37) CHRM3CHRM2AHRSMN1; SMN2L3MBTL1
SCHEMBL21742193 0.86 AHR (0.35) CHRM3CHRM2AHRSMN1; SMN2L3MBTL1
SCHEMBL21742220 0.83 MEN1 (0.36) CHRM3CHRM2AHRSMN1; SMN2L3MBTL1
SCHEMBL21742202 0.83 CHRM3 (0.40) CHRM3CHRM2AHRSMN1; SMN2L3MBTL1
SCHEMBL21742391 0.82 NR1I2 (0.37) CHRM3CHRM2AHRSMN1; SMN2L3MBTL1
SCHEMBL21742084 0.81 SMN1; SMN2 (0.37) CHRM3CHRM2AHRSMN1; SMN2L3MBTL1
SCHEMBL21742372 0.80 CHRM2 (0.37) CHRM3CHRM2AHRSMN1; 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