SCHEMBL4460205

SCHEMBL4460205

CN1Cc2cc(OCCCN3CCOCC3)ccc2C(C2(O)CCCCC2)C1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 20/20 0.61
▸ SLC6A4 P31645 19/20 0.61
▸ SLC6A2 P23975 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.58

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
SCHEMBL4329576 0.95 SLC6A4 (0.55) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL4462683 0.87 HRH3 (0.55) HRH3SLC6A4
SCHEMBL4462029 0.87 SLC6A4 (0.50) HRH3SLC6A4
SCHEMBL4338664 0.86 SLC6A4 (0.48) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL4326089 0.84 SLC6A4 (0.45) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL4329182 0.84 SLC6A4 (0.47) HRH3SLC6A4
SCHEMBL4475719 0.83 FKBP1A (0.49) —
SCHEMBL4465715 0.83 SLC6A4 (0.46) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL4321649 0.83 SLC6A4 (0.47) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL4466983 0.83 HRH3 (0.46) HRH3SLC6A4

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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