SCHEMBL7306077

SCHEMBL7306077

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.59
SLC6A2 P23975 4/20 0.59
SLC6A3 Q01959 4/20 0.59
KCNK2 O95069 2/20 0.59
KCNH2 Q12809 2/20 0.59
CACNA1C Q13936 2/20 0.59
SLC7A5 Q01650 4/20 0.55
SLC6A9 P48067 6/20 0.55
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 4/20 0.52
HRH3 Q9Y5N1 2/20 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

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 0.86 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7318669 0.83 SLC6A4 (0.49) SLC6A4SLC6A9
SCHEMBL7310728 0.83 SLC6A9 (0.49) SLC6A4SLC6A9LMNAALDH1A1HPGD
SCHEMBL7318201 0.82 SLC6A9 (0.60) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL13050366 0.80 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL4734874 0.80 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL13050367 0.80 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7317062 0.80 SLC6A4 (0.54) SLC6A4MEN1KMT2AKDM4ECNR1
Hydrochloric Acid SCHEMBL4777538 0.79 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5027210 0.79 SLC6A9 (0.47) SLC6A4SLC6A9LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4313896-A ANTIDEPRESSANTS, PSYCHOTROPIC AGENTS ELI LILLY AND COMPANY (US) 1982-02-02 US claimed
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4313896-A ANTIDEPRESSANTS, PSYCHOTROPIC AGENTS ELI LILLY AND COMPANY (US) 1982-02-02 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