SCHEMBL7319558

SCHEMBL7319558

NC(CC(Oc1cccc(Cl)c1)c1ccccc1)OC(=O)C(=O)OC(N)CC(Oc1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.53
OGG1 O15527 1/20 0.42
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP2D6 P10635 1/20 0.39
NOS2 P35228 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 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
SCHEMBL7318669 0.87 SLC6A4 (0.49) SLC6A4
SCHEMBL7317062 0.86 SLC6A4 (0.54) SLC6A4IDO1TDO2ALDH1A1CNR1
SCHEMBL7310188 0.85 LMNA (0.47) SLC6A4
SCHEMBL7409524 0.79 SLC6A4 (0.49) SLC6A4ALDH1A1MAPTSLC6A2SLC6A3
SCHEMBL7310728 0.79 SLC6A9 (0.49) SLC6A4FNTAFNTBALDH1A1
SCHEMBL18228682 0.78 SLC6A4 (0.60) SLC6A4OGG1FNTAFNTBALDH1A1
SCHEMBL21391835 0.78 SLC6A4 (0.60) SLC6A4OGG1FNTAFNTBALDH1A1
SCHEMBL18228719 0.78 SLC6A4 (0.60) SLC6A4OGG1FNTAFNTBALDH1A1
Oxalic Acid SCHEMBL7319549 0.76 SLC6A4 (0.62) SLC6A4OGG1IDO1TDO2SLC6A2
SCHEMBL7306077 0.76 SLC6A4 (0.59) SLC6A4ALDH1A1SLC6A2SLC6A3CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 US disclosed
US-4018895-A Aryloxyphenylpropylamines in treating depression ELI LILLY AND COMPANY (US) 1977-04-19 US disclosed