SCHEMBL4317433

SCHEMBL4317433

C=CCOC1CCC(O)(C2CN(C)Cc3ccccc32)CC1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 20/20 0.37
▸ SLC6A4 P31645 20/20 0.37
▸ SLC6A3 Q01959 19/20 0.37

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
SCHEMBL4457874 0.79 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL4454461 0.78 SLC6A3 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL4461630 0.77 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL4458919 0.76 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL4323108 0.76 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL4322615 0.76 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL4460770 0.74 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL4456475 0.74 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL4333706 0.73 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL4317478 0.71 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3

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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