SCHEMBL21742345

SCHEMBL21742345

CC(=O)OC(C)(c1ccccn1)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 3/20 0.37
P2RY1 P47900 1/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP19A1 P11511 1/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.35
BLM P54132 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL21742053 0.99 CHRM2 (0.38) CHRM2CHRM3SMN1; SMN2L3MBTL1GPR119
SCHEMBL21742344 0.97 CHRM3 (0.39) CHRM2CHRM3SMN1; SMN2L3MBTL1GPR119
SCHEMBL21742163 0.94 SMN1; SMN2 (0.40) CHRM3SMN1; SMN2L3MBTL1GPR119MAPT
SCHEMBL21742013 0.81 CHRM2 (0.42) CHRM2CHRM3SMN1; SMN2L3MBTL1MEN1
SCHEMBL21742079 0.79 CHRM2 (0.36) CHRM2CHRM3SMN1; SMN2L3MBTL1MEN1
SCHEMBL21742280 0.78 CHRM2 (0.38) CHRM2CHRM3SMN1; SMN2L3MBTL1MEN1
SCHEMBL21742011 0.78 CHRM2 (0.42) CHRM2CHRM3SMN1; SMN2L3MBTL1MEN1
SCHEMBL21742330 0.77 CHRM3 (0.39) CHRM2CHRM3SMN1; SMN2L3MBTL1MEN1
SCHEMBL25434597 0.77 ALDH1A1 (0.34) CHRM2CHRM3SMN1; SMN2MEN1KMT2A
SCHEMBL21742021 0.77 CHRM2 (0.38) CHRM2CHRM3SMN1; SMN2L3MBTL1MEN1

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