SCHEMBL21742129

SCHEMBL21742129

CC(F)(c1ccccn1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AHR P35869 1/20 0.39
CHRM3 P20309 4/20 0.37
GRM1 Q13255 1/20 0.36
CHRM2 P08172 4/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RIPK1 Q13546 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
DPP4 P27487 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL21742299 0.93 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1AHRCHRM3GRM1
SCHEMBL8972314 0.78 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CHRM3GRM1CHRM2
SCHEMBL17490358 0.78 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1AHRCHRM3GRM1
SCHEMBL21742184 0.78 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1AHRCHRM3GRM1
SCHEMBL21742121 0.78 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1AHRCHRM3GRM1
SCHEMBL2674710 0.78 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1AHRCHRM3GRM1
SCHEMBL21742286 0.77 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1AHRCHRM3CHRM2
SCHEMBL13237137 0.76 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1
SCHEMBL16132511 0.76 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1
SCHEMBL15160582 0.76 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1

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