SCHEMBL8350845

SCHEMBL8350845

NCC[C@H](O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
TAAR1 Q96RJ0 3/20 0.43
HTR3A P46098 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL7350168 1.00 AOC3 (0.53) AOC3MEN1KMT2AGABBR2GABBR1
SCHEMBL8355999 1.00 AOC3 (0.53) AOC3MEN1KMT2AGABBR2GABBR1
SCHEMBL15607723 0.89 AOC3 (0.52) AOC3MEN1KMT2AGABBR2GABBR1
SCHEMBL5093350 0.85 MEN1 (0.48) AOC3MEN1KMT2AGABBR2GABBR1
SCHEMBL31489731 0.84 AOC3 (0.50) AOC3MEN1KMT2AGABBR2GABBR1
SCHEMBL297244 0.82 TAAR1 (0.64) AOC3MEN1KMT2AGABBR2GABBR1
SCHEMBL295194 0.82 TAAR1 (0.64) AOC3MEN1KMT2AGABBR2GABBR1
SCHEMBL1239403 0.82 TAAR1 (0.64) AOC3MEN1KMT2AGABBR2GABBR1
SCHEMBL3823740 0.80 TAAR1 (0.68) MEN1KMT2ATAAR1HTR3ATSHR
Hydrochloric Acid SCHEMBL19666947 0.80 APEX1 (0.65) AOC3MEN1KMT2AGABBR2GABBR1

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-1999032649-A1 METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL 1,3-AMINOALCOHOLS BIOCATALYTICS, INC. (US) 1999-07-01 WO disclosed