SCHEMBL12434734

SCHEMBL12434734

O[C@@H](CN1CCCC1)c1c2ccccc2cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 2/20 0.48
MAOB P27338 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAD52 P43351 1/20 0.42

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
SCHEMBL7193788 0.77 L3MBTL1 (0.56) SLC6A9L3MBTL1POLBMAOBKDM4E
SCHEMBL12434732 0.77 L3MBTL1 (0.56) SLC6A9L3MBTL1POLBMAOBKDM4E
SCHEMBL12434731 0.77 SLC6A9 (0.41) SLC6A9L3MBTL1POLBHRH3KDM4E
SCHEMBL10832824 0.74 MAPT (0.45) L3MBTL1OPRM1HRH3KDM4EALDH1A1
SCHEMBL10831602 0.73 MAPT (0.44) L3MBTL1CHRM2CHRM1DRD1SLC6A2
SCHEMBL3082979 0.72 GAA (0.71) MAOBOPRM1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1205842 0.72 GAA (0.71) MAOBOPRM1KDM4EALDH1A1SMN1; SMN2
SCHEMBL243405 0.72 LMNA (0.47) L3MBTL1POLBKDM4EALDH1A1GLA
SCHEMBL6979453 0.72 GAA (0.71) MAOBOPRM1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13217608 0.72 HTR2A (0.41) L3MBTL1POLBKDM4EALDH1A1GLA

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-2353714-A1 ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2011-08-10 EP disclosed