SCHEMBL7318201

SCHEMBL7318201

CN(C)C(CC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)OC(=O)C(=O)OC(CC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)N(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.60
SLC6A4 P31645 5/20 0.58
HRH3 Q9Y5N1 2/20 0.58
SLC6A2 P23975 4/20 0.52
SLC6A3 Q01959 4/20 0.52
KCNK2 O95069 2/20 0.52
KCNH2 Q12809 2/20 0.52
CACNA1C Q13936 2/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 4/20 0.52
NPC1 O15118 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
MTOR P42345 2/20 0.52
RAB9A P51151 2/20 0.52
CYP3A4 P08684 2/20 0.52
HTR2C P28335 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL4740321 0.90 SLC6A9 (0.57) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4660 0.84 HTR1A (0.46) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL3802 0.84 OPRM1 (0.48) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4740057 0.84 SLC6A9 (0.48) SLC6A9SLC6A4HRH3CYP1A2TSHR
SCHEMBL10539 0.83 SLC7A5 (0.52) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4736090 0.82 SLC6A9 (0.50) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4738511 0.82 SLC6A9 (0.50) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL7306077 0.82 SLC6A4 (0.59) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL9500936 0.81 SLC6A9 (0.57) SLC6A9
SCHEMBL11350917 0.81 ALDH1A1 (0.45) SLC6A9KMT2ALMNAOPRM1ALDH1A1

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-4584404-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1986-04-22 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