SCHEMBL21742010

SCHEMBL21742010

CCC(O)(c1ccccn1)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRM2 P08172 7/20 0.43
CHRM1 P11229 5/20 0.43
CYP2D6 P10635 4/20 0.43
KCNH2 Q12809 4/20 0.43
CHRM3 P20309 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.39
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
HRH1 P35367 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38

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
SCHEMBL21742263 0.97 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1CHRM2CHRM1CYP2D6
SCHEMBL17490363 0.79 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1CHRM2CHRM1CYP2D6
SCHEMBL25434590 0.78 CHRM2 (0.41) SMN1; SMN2L3MBTL1CHRM2CHRM1CYP2D6
SCHEMBL21742113 0.78 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1CHRM2CHRM3MEN1
SCHEMBL21742038 0.78 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1CHRM2CHRM3MEN1
SCHEMBL16132528 0.78 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM2CHRM1CYP2D6
SCHEMBL16132365 0.76 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL17490336 0.76 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1CHRM2CHRM3MEN1
SCHEMBL18635455 0.76 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM2CHRM3MEN1
SCHEMBL16132505 0.75 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1CHRM2CHRM1CHRM3

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