SCHEMBL8716623

SCHEMBL8716623

Cc1ccccc1CC(C)C(N)C(O)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.40
PNMT P11086 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.38
ADRB1 P08588 6/20 0.38
ADRB2 P07550 4/20 0.38
HDAC8 Q9BY41 2/20 0.37
SLC2A1 P11166 1/20 0.37
AOC3 Q16853 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MIF P14174 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL8716621 1.00 ADRB3 (0.40) ADRB3PNMTTRPM8ADRB1ADRB2
SCHEMBL8719067 0.88 HDAC8 (0.43) ADRB3PNMTADRB1ADRB2HDAC8
SCHEMBL8719065 0.88 HDAC8 (0.43) ADRB3PNMTADRB1ADRB2HDAC8
SCHEMBL8716591 0.85 PPARG (0.44) ADRB2HDAC8AOC3PPARGPPARA
SCHEMBL8716593 0.85 PPARG (0.44) ADRB2HDAC8AOC3PPARGPPARA
SCHEMBL8718436 0.85 ADRA2C (0.49) AOC3HTR2AADRA1AMEN1CYP3A4
SCHEMBL8718438 0.85 ADRA2C (0.49) AOC3HTR2AADRA1AMEN1CYP3A4
SCHEMBL8717494 0.85 CBX7 (0.45) PNMTCYP3A4CYP2D6
SCHEMBL8717498 0.85 CBX7 (0.45) PNMTCYP3A4CYP2D6
SCHEMBL8720148 0.84 ADRB3 (0.44) ADRB3PNMTADRB1ADRB2AOC3

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