SCHEMBL4457922

SCHEMBL4457922

CN1Cc2cc(OCc3cccs3)ccc2C(C2(O)CCCCC2)C1.CN1Cc2cc(Oc3ccccc3)ccc2C(C2(O)CCCCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 14/20 0.42
▸ SLC6A2 P23975 3/20 0.42
▸ SLC6A3 Q01959 3/20 0.42
▸ HRH3 Q9Y5N1 7/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL4556488 0.94 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3HRH3PDK2
SCHEMBL4451508 0.86 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4461070 0.86 CCR4 (0.42) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4326357 0.83 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4323128 0.77 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4331733 0.77 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4329227 0.77 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4466596 0.76 FKBP1A (0.41) SLC6A4HRH3PDK2ALDH1A1GAA
SCHEMBL4326089 0.76 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4338664 0.76 SLC6A4 (0.48) 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 claimed
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