SCHEMBL4458425

SCHEMBL4458425

COc1ccc2c(c1)CN(C)CC2C(O)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 16/20 0.50
▸ SLC6A2 P23975 6/20 0.50
▸ SLC6A3 Q01959 6/20 0.50
▸ HRH3 Q9Y5N1 10/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL4455973 0.80 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4333714 0.77 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL18034964 0.75 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4326074 0.74 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL12363815 0.72 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL29843344 0.72 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4316512 0.71 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL18034982 0.68 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL11638679 0.67 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL11792580 0.65 SLC6A4 (0.76) 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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