SCHEMBL8713660

SCHEMBL8713660

CC(Cc1ccccc1Cl)(C[C@H](N)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PNMT P11086 1/20 0.37
HIF1A Q16665 2/20 0.37
CYP2C19 P33261 1/20 0.37
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
PKM P14618 1/20 0.36
CTSK P43235 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
KIF11 P52732 1/20 0.35
IDO1 P14902 2/20 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
LMNA P02545 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
SCHEMBL8716588 0.92 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3PNMTCYP2C19
SCHEMBL8716735 0.90 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3PNMTPKM
SCHEMBL8716358 0.89 GRIN2B (0.46) SLC6A2SLC6A4SLC6A3PNMTCYP2C19
SCHEMBL8719069 0.88 KIF11 (0.39) SLC6A2SLC6A4SLC6A3PNMTKCNJ6
SCHEMBL8713653 0.87 KIF11 (0.38) SLC6A2SLC6A4SLC6A3PNMTCYP2C19
SCHEMBL8718275 0.86 KIF11 (0.37) SLC6A2SLC6A4SLC6A3PNMTKCNJ6
SCHEMBL8713286 0.86 TP53 (0.44) PNMTCYP2C19KCNJ6KCNJ5KCNJ3
SCHEMBL8713910 0.85 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3PNMTHIF1A
SCHEMBL8718439 0.84 CYP2C19 (0.38) SLC6A2SLC6A4SLC6A3HIF1ACYP2C19
SCHEMBL8718570 0.82 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3PNMTHIF1A

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