SCHEMBL8716158

SCHEMBL8716158

CC(Cc1ccccc1Cl)[C@@H](N)[C@H](O)c1cccc(Cl)c1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.43
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
PNMT P11086 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
AOC3 Q16853 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
PKM P14618 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32

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
SCHEMBL8716159 1.00 CFD (0.43) CFDSLC6A2SLC6A4SLC6A3PNMT
SCHEMBL8714124 0.91 CFD (0.40) CFDSLC6A2SLC6A4SLC6A3PNMT
SCHEMBL8714121 0.91 CFD (0.40) CFDSLC6A2SLC6A4SLC6A3PNMT
SCHEMBL8713609 0.88 LMNA (0.39) CFDSLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL8713608 0.88 LMNA (0.39) CFDSLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL8716202 0.88 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3PNMTCYP1A2
SCHEMBL8716204 0.88 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3PNMTCYP1A2
SCHEMBL8713907 0.88 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3PNMTCYP1A2
SCHEMBL8713904 0.88 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3PNMTCYP1A2
SCHEMBL8714240 0.85 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3PNMTCYP1A2

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