SCHEMBL8716732

SCHEMBL8716732

Cc1ccc([C@@H](O)[C@H](N)C(C)Cc2ccccc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALOX5AP P20292 1/20 0.39
LMNA P02545 3/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PNMT P11086 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
PKM P14618 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
KMT2A Q03164 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
SCHEMBL8716733 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3ALOX5APLMNA
SCHEMBL8716583 0.90 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3LMNAADRA2A
SCHEMBL8716580 0.90 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3LMNAADRA2A
SCHEMBL8713658 0.90 LMNA (0.47) SLC6A2SLC6A4SLC6A3LMNAADRA2A
SCHEMBL8713656 0.90 LMNA (0.47) SLC6A2SLC6A4SLC6A3LMNAADRA2A
SCHEMBL8713648 0.85 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3LMNAADRA2A
SCHEMBL8713650 0.85 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3LMNAADRA2A
SCHEMBL8718271 0.85 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3PNMT
SCHEMBL8718273 0.85 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3PNMT
SCHEMBL8716351 0.84 GRIN2B (0.44) SLC6A2SLC6A4SLC6A3LMNAADRA2A

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