SCHEMBL7312423

SCHEMBL7312423

COc1ccc(OC(CC(N)OC(=O)/C=C\C(=O)OC(N)CC(Oc2ccc(OC)cc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.46
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
EPHX1 P07099 1/20 0.41
HTR1A P08908 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ACP3 P15309 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL7312420 0.88 SLC6A4 (0.46) SLC6A9PPARGPPARAHCAR2HTR1A
SCHEMBL7310188 0.79 LMNA (0.47) L3MBTL1
SCHEMBL7310728 0.78 SLC6A9 (0.49) SLC6A9PPARGPPARAHTR1AALDH1A1
SCHEMBL5027210 0.76 SLC6A9 (0.47) SLC6A9PPARGPPARAHTR1AALDH1A1
SCHEMBL7409524 0.75 SLC6A4 (0.49) SLC6A9PPARGPPARAHTR1AMAPT
SCHEMBL7318669 0.75 SLC6A4 (0.49) SLC6A9PPARGPPARAHTR1A
Fumaric Acid SCHEMBL7312428 0.74 SLC6A2 (0.54) SLC6A9PPARGPPARAHTR1AALDH1A1
Maleic Acid SCHEMBL7312418 0.74 SLC6A2 (0.54) SLC6A9PPARGPPARAHTR1AALDH1A1
SCHEMBL7311168 0.73 KMT2A (0.50) SLC6A9HTR1APOLBMEN1KMT2A
SCHEMBL7306077 0.72 SLC6A4 (0.59) SLC6A9HTR2AHTR2BSIGMAR1MEN1

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