SCHEMBL21742301

SCHEMBL21742301

CCC(F)(c1ccccn1)C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM3 P20309 3/20 0.37
CHRM2 P08172 2/20 0.37
CETP P11597 1/20 0.35
AHR P35869 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
HCRTR1 O43613 2/20 0.33
ABHD6 Q9BV23 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
HTR7 P34969 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL21742113 0.97 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1CHRM3CHRM2CETP
SCHEMBL21742286 0.94 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CHRM3CHRM2CETP
SCHEMBL21742299 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CHRM3CHRM2CETP
SCHEMBL21742295 0.78 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742263 0.78 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1CHRM3CHRM2AHR
SCHEMBL21742386 0.77 CHRM3 (0.36) SMN1; SMN2L3MBTL1CHRM3CHRM2AHR
SCHEMBL21742260 0.76 CHRM3 (0.38) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742432 0.76 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CHRM3CHRM2CETP
SCHEMBL21742010 0.75 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL17490336 0.72 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1CHRM3CHRM2AHR

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