SCHEMBL7312420

SCHEMBL7312420

NC(CC(Oc1ccc(F)cc1)c1ccccc1)OC(=O)/C=C\C(=O)OC(N)CC(Oc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.46
SLC6A9 P48067 4/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
HCAR2 Q8TDS4 1/20 0.39
HTR1A P08908 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNK2 O95069 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 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
SCHEMBL7409524 0.88 SLC6A4 (0.49) SLC6A4SLC6A9CYP2D6CYP2C9CYP2C19
SCHEMBL7312423 0.88 SLC6A9 (0.46) SLC6A9ALDH1A1MAPTPPARGPPARA
SCHEMBL7317062 0.77 SLC6A4 (0.54) SLC6A4ALDH1A1PPARGPPARAMEN1
SCHEMBL7318669 0.75 SLC6A4 (0.49) SLC6A4SLC6A9PPARGPPARAHTR1A
SCHEMBL7310728 0.75 SLC6A9 (0.49) SLC6A4SLC6A9ALDH1A1PPARGPPARA
SCHEMBL7306077 0.75 SLC6A4 (0.59) SLC6A4SLC6A9CYP2D6CYP2C9CYP2C19
SCHEMBL17267519 0.75 SLC7A5 (0.61) SLC6A4SLC6A9SLC6A2SLC6A3KCNK2
SCHEMBL17267538 0.75 SLC7A5 (0.61) SLC6A4SLC6A9CYP2D6CYP2C9CYP2C19
SCHEMBL17267489 0.75 SLC7A5 (0.61) SLC6A4SLC6A9CYP2D6CYP2C9CYP2C19
SCHEMBL17267582 0.75 SLC7A5 (0.61) SLC6A4SLC6A9CYP2D6CYP2C9CYP2C19

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