SCHEMBL8200189

SCHEMBL8200189

N[C@H]1O[C@@H]1CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
FASN P49327 1/20 0.49
TAAR1 Q96RJ0 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MAOA P21397 4/20 0.41
MAOB P27338 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
KDM1A O60341 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL8786930 1.00 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3FASNTAAR1
SCHEMBL5864654 1.00 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3FASNTAAR1
SCHEMBL5172288 1.00 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3FASNTAAR1
SCHEMBL11687983 0.84 FASN (0.53) SLC6A2SLC6A4SLC6A3FASNTAAR1
SCHEMBL3761884 0.78 FASN (0.49) SLC6A2SLC6A4SLC6A3FASNTAAR1
SCHEMBL1493179 0.78 FASN (0.49) SLC6A2SLC6A4SLC6A3FASNTAAR1
SCHEMBL11825236 0.77 FASN (0.47) SLC6A2SLC6A4SLC6A3FASNTAAR1
SCHEMBL5973225 0.75 TDP1 (0.46) SLC6A2SLC6A4SLC6A3FASNTSHR
SCHEMBL7545254 0.75 FASN (0.46) SLC6A2SLC6A4SLC6A3FASNTAAR1
SCHEMBL5973222 0.75 TDP1 (0.46) SLC6A2SLC6A4SLC6A3FASNTSHR

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-1052257-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE THREO-3-AMINO-1,2-EPOXY COMPOUNDS Nippon Kayaku Kabushiki Kaisha (JP) 2000-11-15 EP disclosed