SCHEMBL5033743

SCHEMBL5033743

Cc1ccccc1Oc1cccc(CCCN(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
HTR7 P34969 3/20 0.46
NOS1 P29475 2/20 0.45
NOS2 P35228 1/20 0.45
FDFT1 P37268 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
ACHE P22303 1/20 0.44
HRH1 P35367 1/20 0.43
NOS3 P29474 1/20 0.42

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
SCHEMBL15562704 0.84 HTR1B (0.56) NOS1NOS2FDFT1SIGMAR1ACHE
SCHEMBL8971018 0.82 FDFT1 (0.55) HTR7NOS1NOS2FDFT1SIGMAR1
SCHEMBL4176300 0.81 CHRM2 (0.50) FFAR1NOS1FDFT1SIGMAR1ACHE
Hydrochloric Acid SCHEMBL1950248 0.80 MEN1 (0.51) FFAR1NOS1FDFT1SIGMAR1ACHE
SCHEMBL555038 0.77 AOC3 (0.66) SIGMAR1ACHE
SCHEMBL1745696 0.76 FFAR1 (0.54) FFAR1
SCHEMBL922401 0.76 FFAR1 (0.51) FFAR1
SCHEMBL23771222 0.75 BCHE (0.65) NOS1NOS2
SCHEMBL28328382 0.75 FFAR1 (0.46) FFAR1ACHE
SCHEMBL18762842 0.75 SIGMAR1 (0.61) HTR7NOS1NOS2SIGMAR1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008026227-A2 A PROCESS FOR THE PREPARATION OF ATOMOXETINE HYDROCHLORIDE MATRIX LABORATORIES LTD (IN) 2008-03-06 WO disclosed