SCHEMBL21742295

SCHEMBL21742295

CCC(Cl)(c1ccccn1)C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM3 P20309 3/20 0.37
CHRM2 P08172 3/20 0.37
MEN1 O00255 4/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GRM5 P41594 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 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
SCHEMBL21742038 0.97 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742120 0.94 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742307 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742301 0.78 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742263 0.78 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742277 0.76 CHRM3 (0.40) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742260 0.76 CHRM3 (0.38) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742113 0.75 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742010 0.75 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742385 0.73 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1

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