SCHEMBL21742280

SCHEMBL21742280

CCOC(C)(c1ccccn1)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.38
CHRM3 P20309 3/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.35
NOS2 P35228 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL21742021 0.98 CHRM2 (0.38) CHRM2CHRM3MEN1KMT2ASMN1; SMN2
SCHEMBL21742018 0.94 SMN1; SMN2 (0.39) CHRM2CHRM3MEN1KMT2ASMN1; SMN2
SCHEMBL21742100 0.87 CHRM2 (0.39) CHRM2CHRM3MEN1KMT2ASMN1; SMN2
SCHEMBL21742013 0.84 CHRM2 (0.42) CHRM2CHRM3MEN1KMT2ASMN1; SMN2
SCHEMBL21742195 0.84 AHR (0.37) CHRM2CHRM3MEN1KMT2ASMN1; SMN2
SCHEMBL21742024 0.83 CHRM2 (0.40) CHRM2CHRM3MEN1KMT2ASMN1; SMN2
SCHEMBL21742011 0.81 CHRM2 (0.42) CHRM2CHRM3MEN1KMT2ASMN1; SMN2
SCHEMBL21742182 0.81 AHR (0.37) CHRM2CHRM3MEN1KMT2ASMN1; SMN2
SCHEMBL21742260 0.78 CHRM3 (0.38) CHRM2CHRM3MEN1KMT2ASMN1; SMN2
SCHEMBL21742274 0.78 SMN1; SMN2 (0.41) CHRM2CHRM3MEN1KMT2ASMN1; SMN2

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