SCHEMBL4468394

SCHEMBL4468394

C#CCOc1ccc2c(c1)CN(C)CC2C1(O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 18/20 0.41
▸ SLC6A2 P23975 3/20 0.41
▸ SLC6A3 Q01959 3/20 0.41
▸ HRH3 Q9Y5N1 16/20 0.40
▸ MAOB P27338 1/20 0.36

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
SCHEMBL4329227 0.92 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4323128 0.87 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4338664 0.85 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4326089 0.85 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4321649 0.84 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4316512 0.83 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4327372 0.83 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3HRH3MAOB
SCHEMBL4459918 0.83 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4323102 0.83 SIGMAR1 (0.41) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4462683 0.82 HRH3 (0.55) SLC6A4HRH3

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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