SCHEMBL8713907

SCHEMBL8713907

CC(Cc1ccccc1Cl)C(N)C(O)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
AOC3 Q16853 1/20 0.42
PNMT P11086 2/20 0.38
CYP2D6 P10635 2/20 0.38
NFKB1 P19838 2/20 0.38
HIF1A Q16665 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
LMNA P02545 2/20 0.37
BLM P54132 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36

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
SCHEMBL8713904 1.00 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3ADRB2ADRB1
SCHEMBL8714240 0.91 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ADRB2ADRB1
SCHEMBL8714237 0.91 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ADRB2ADRB1
SCHEMBL8718566 0.90 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3ADRB2ADRB1
SCHEMBL8718562 0.90 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3ADRB2ADRB1
SCHEMBL8716204 0.89 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3ADRB2ADRB1
SCHEMBL8716202 0.89 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3ADRB2ADRB1
SCHEMBL8713784 0.88 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL8716158 0.88 CFD (0.43) SLC6A2SLC6A4SLC6A3ADRB2ADRB1
SCHEMBL8716159 0.88 CFD (0.43) SLC6A2SLC6A4SLC6A3ADRB2ADRB1

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
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed