SCHEMBL8717068

SCHEMBL8717068

Cc1ccc(CC(C)C(N)C(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.45
PNMT P11086 1/20 0.44
ADRB3 P13945 10/20 0.41
ADRB1 P08588 7/20 0.41
ADRB2 P07550 7/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
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

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
SCHEMBL8717066 1.00 SLC2A1 (0.45) SLC2A1PNMTADRB3ADRB1ADRB2
SCHEMBL8713871 0.90 TAAR1 (0.47) SLC2A1PNMTADRB3ADRB1ADRB2
SCHEMBL8716169 0.90 SLC2A1 (0.45) SLC2A1PNMTADRB3ADRB1ADRB2
SCHEMBL8713870 0.90 TAAR1 (0.47) SLC2A1PNMTADRB3ADRB1ADRB2
SCHEMBL8716164 0.90 SLC2A1 (0.45) SLC2A1PNMTADRB3ADRB1ADRB2
SCHEMBL8713862 0.89 PNMT (0.50) SLC2A1PNMTADRB3ADRB1ADRB2
SCHEMBL8713303 0.88 PNMT (0.50) SLC2A1PNMTADRB3ADRB1TRPM8
SCHEMBL8713304 0.88 PNMT (0.50) SLC2A1PNMTADRB3ADRB1TRPM8
SCHEMBL8714905 0.87 ADRB3 (0.49) SLC2A1PNMTADRB3ADRB1ADRB2
SCHEMBL8714903 0.87 ADRB3 (0.49) SLC2A1PNMTADRB3ADRB1ADRB2

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