SCHEMBL11236293

SCHEMBL11236293

NCCC(Oc1ccc(F)c(F)c1F)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.54
SLC6A2 P23975 7/20 0.52
SLC6A4 P31645 9/20 0.52
CYP2D6 P10635 4/20 0.52
SLC6A3 Q01959 2/20 0.51
KCNK2 O95069 1/20 0.51
KCNH2 Q12809 1/20 0.51
CACNA1C Q13936 1/20 0.51
SLC7A5 Q01650 4/20 0.45
HRH1 P35367 1/20 0.43

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
SCHEMBL7052799 0.82 SLC6A2 (0.56) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL5403775 0.80 SLC6A4 (0.54) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL8341049 0.80 SLC6A4 (0.51) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
Oxalic Acid SCHEMBL7317717 0.76 SLC6A2 (0.60) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL1045800 0.74 SLC6A4 (0.71) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL5306302 0.74 SLC6A2 (0.68) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL2212613 0.74 SLC6A2 (0.68) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL7055148 0.74 SLC6A2 (0.55) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL7053112 0.74 SLC6A4 (0.70) SLC6A2SLC6A4CYP2D6SLC6A3KCNK2
SCHEMBL4624371 0.74 SLC6A2 (0.68) NOS2SLC6A2SLC6A4CYP2D6SLC6A3

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
US-4313896-A ANTIDEPRESSANTS, PSYCHOTROPIC AGENTS ELI LILLY AND COMPANY (US) 1982-02-02 US claimed