SCHEMBL8713910

SCHEMBL8713910

CC(Cc1ccccc1Cl)(C[C@H](N)O)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PNMT P11086 1/20 0.37
PKM P14618 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
KIF11 P52732 1/20 0.35
IDO1 P14902 3/20 0.34
AOC3 Q16853 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
HIF1A Q16665 1/20 0.34
NR3C1 P04150 1/20 0.34
NR3C2 P08235 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR3E A5X5Y0 1/20 0.33

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
SCHEMBL8716208 0.90 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3PNMTPKM
SCHEMBL8718570 0.90 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3PNMTPKM
SCHEMBL8714242 0.90 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3PNMTPKM
SCHEMBL8716161 0.88 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3PNMTPKM
SCHEMBL8713790 0.87 NR3C1 (0.47) SLC6A2SLC6A4SLC6A3TAAR1IDO1
SCHEMBL8719259 0.87 NR3C1 (0.39) TAAR1IDO1AOC3CYP2D6NR3C1
SCHEMBL8713660 0.85 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3PNMTPKM
SCHEMBL8716588 0.83 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3PNMTPKM
SCHEMBL8716231 0.82 RXRA (0.41) NFKB1HTTSMN1; SMN2
SCHEMBL8716735 0.82 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3PNMTPKM

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