SCHEMBL8716718

SCHEMBL8716718

COc1ccc(CC(C)C(N)C(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.49
SLC2A1 P11166 3/20 0.48
ADRB2 P07550 11/20 0.46
ADRB3 P13945 11/20 0.46
ADRB1 P08588 6/20 0.46
GLA P06280 1/20 0.45
CYP2D6 P10635 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP3A4 P08684 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL8716717 1.00 SLC6A4 (0.49) SLC6A4SLC2A1ADRB2ADRB3ADRB1
SCHEMBL8713330 0.89 TAAR1 (0.55) SLC6A4SLC2A1ADRB2ADRB3ADRB1
SCHEMBL8713332 0.89 TAAR1 (0.55) SLC6A4SLC2A1ADRB2ADRB3ADRB1
SCHEMBL8716636 0.87 ADRB2 (0.62) SLC2A1ADRB2ADRB3ADRB1GLA
SCHEMBL8716638 0.87 ADRB2 (0.62) SLC2A1ADRB2ADRB3ADRB1GLA
SCHEMBL8717068 0.86 SLC2A1 (0.45) SLC2A1ADRB2ADRB3ADRB1CYP2D6
SCHEMBL8717066 0.86 SLC2A1 (0.45) SLC2A1ADRB2ADRB3ADRB1CYP2D6
SCHEMBL8713871 0.86 TAAR1 (0.47) SLC2A1ADRB2ADRB3ADRB1ADRA1D
SCHEMBL8716169 0.86 SLC2A1 (0.45) SLC2A1ADRB2ADRB3ADRB1GLA
SCHEMBL8713870 0.86 TAAR1 (0.47) SLC2A1ADRB2ADRB3ADRB1ADRA1D

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