SCHEMBL8716169

SCHEMBL8716169

CCc1ccc(CC(C)C(N)C(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.45
PNMT P11086 1/20 0.44
ADRB3 P13945 12/20 0.41
ADRB2 P07550 10/20 0.41
ADRB1 P08588 8/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GLA P06280 1/20 0.38

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
SCHEMBL8716164 1.00 SLC2A1 (0.45) SLC2A1PNMTADRB3ADRB2ADRB1
SCHEMBL8713870 0.90 TAAR1 (0.47) SLC2A1PNMTADRB3ADRB2ADRB1
SCHEMBL8717066 0.90 SLC2A1 (0.45) SLC2A1PNMTADRB3ADRB2ADRB1
SCHEMBL8713871 0.90 TAAR1 (0.47) SLC2A1PNMTADRB3ADRB2ADRB1
SCHEMBL8717068 0.90 SLC2A1 (0.45) SLC2A1PNMTADRB3ADRB2ADRB1
SCHEMBL8713862 0.89 PNMT (0.50) SLC2A1PNMTADRB3ADRB2ADRB1
SCHEMBL8714903 0.87 ADRB3 (0.49) SLC2A1PNMTADRB3ADRB2ADRB1
SCHEMBL8714905 0.87 ADRB3 (0.49) SLC2A1PNMTADRB3ADRB2ADRB1
SCHEMBL8718900 0.86 SLC6A4 (0.49) SLC2A1PNMTADRB3ADRB2ADRB1
SCHEMBL8716718 0.86 SLC6A4 (0.49) SLC2A1ADRB3ADRB2ADRB1ADRA1D

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