SCHEMBL8713332

SCHEMBL8713332

COc1cccc(CC(C)C(N)C(O)c2cccc(Cl)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.55
PNMT P11086 1/20 0.47
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB3 P13945 2/20 0.43
ADRB1 P08588 1/20 0.43
AOC3 Q16853 3/20 0.42
SLC2A1 P11166 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.40
HTT P42858 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 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
SCHEMBL8713330 1.00 TAAR1 (0.55) TAAR1PNMTLMNAALDH1A1ADRB2
SCHEMBL8716718 0.89 SLC6A4 (0.49) ADRB2ADRB3ADRB1SLC2A1SLC6A4
SCHEMBL8716717 0.89 SLC6A4 (0.49) ADRB2ADRB3ADRB1SLC2A1SLC6A4
SCHEMBL8720159 0.88 TAAR1 (0.60) TAAR1LMNAALDH1A1ADRB2SLC6A2
SCHEMBL8720156 0.88 TAAR1 (0.60) TAAR1LMNAALDH1A1ADRB2SLC6A2
SCHEMBL8713862 0.85 PNMT (0.50) TAAR1PNMTLMNAADRB2ADRB3
SCHEMBL8433901 0.85 ALOX15 (0.51) PNMTADRB2
SCHEMBL8433300 0.85 ALOX15 (0.51) PNMTADRB2
SCHEMBL8713303 0.84 PNMT (0.50) TAAR1PNMTLMNAADRB3ADRB1
SCHEMBL8713304 0.84 PNMT (0.50) TAAR1PNMTLMNAADRB3ADRB1

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