SCHEMBL4323059

SCHEMBL4323059

COc1ccc2c(c1)CN(C)CC2CC(O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 8/20 0.53
▸ SLC6A2 P23975 7/20 0.53
▸ SLC6A3 Q01959 7/20 0.53
▸ HTR1A P08908 3/20 0.47
▸ GRIN2B Q13224 5/20 0.41
▸ GRIN2D O15399 4/20 0.41
▸ GRIN3B O60391 4/20 0.41
▸ GRIN1 Q05586 4/20 0.41
▸ GRIN2A Q12879 4/20 0.41
▸ GRIN2C Q14957 4/20 0.41
▸ GRIN3A Q8TCU5 4/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ MTNR1B P49286 1/20 0.40
▸ NAAA Q02083 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL4323062 0.79 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HTR1AGRIN2B
SCHEMBL18034964 0.70 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3GRIN2BGRIN1
SCHEMBL11638679 0.70 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4457606 0.69 SLC6A4 (0.81) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4463258 0.68 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4333714 0.68 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3GRIN2BGRIN1
SCHEMBL12363815 0.67 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL29843344 0.67 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL1120086 0.66 SLC6A4 (0.77) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL12633242 0.66 SLC6A4 (0.77) SLC6A4SLC6A2SLC6A3HRH3

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-2009118765-A2 NOVEL MONOAMINE RE-UPTAKE INHIBITOR PANACEA BIOTEC LIMITED (GB) 2009-10-01 — — WO disclosed
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