SCHEMBL23875155

SCHEMBL23875155

CCN1[C@H](C)CN(c2ccccn2)C[C@@H]1C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HSD11B1 P28845 1/20 0.47
GRM1 Q13255 6/20 0.46
DRD4 P21917 2/20 0.45
GRIN2B Q13224 2/20 0.44
PLD1 Q13393 1/20 0.44
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL26972296 0.84 GRM1 (0.47) KDM4EALDH1A1MAPTHSD11B1GRM1
SCHEMBL26972293 0.84 GRM1 (0.47) KDM4EALDH1A1MAPTHSD11B1GRM1
SCHEMBL22837869 0.81 HSD11B1 (0.50) KDM4EALDH1A1MAPTHSD11B1GRM1
SCHEMBL23875206 0.81 HSD11B1 (0.50) KDM4EALDH1A1MAPTHSD11B1GRM1
SCHEMBL23875353 0.79 PLD1 (0.52) KDM4EALDH1A1MAPTHSD11B1GRM1
SCHEMBL23875159 0.78 GRIN1 (0.43) ALDH1A1DRD4GRIN2B
SCHEMBL23875161 0.78 GRIN1 (0.43) ALDH1A1DRD4GRIN2B
SCHEMBL28768958 0.76 HSD11B1 (0.49) KDM4EALDH1A1MAPTHSD11B1GRM1
SCHEMBL28768957 0.76 HSD11B1 (0.62) KDM4EALDH1A1HSD11B1GRM1GRIN2B
SCHEMBL29991351 0.76 GRIN2B (0.49) KDM4EALDH1A1MAPTHSD11B1GRM1

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
WO-2021194878-A1 SELECTIVE MODULATORS OF MUTANT LRRK2 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-09-30 WO disclosed