SCHEMBL4326089

SCHEMBL4326089

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

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 20/20 0.45
▸ HRH3 Q9Y5N1 19/20 0.45
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42

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
SCHEMBL4338664 0.91 SLC6A4 (0.48) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4321649 0.90 SLC6A4 (0.47) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4459918 0.89 SLC6A4 (0.44) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4323128 0.89 SLC6A4 (0.55) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4462029 0.88 SLC6A4 (0.50) SLC6A4HRH3
SCHEMBL4465715 0.88 SLC6A4 (0.46) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4462683 0.88 HRH3 (0.55) SLC6A4HRH3
SCHEMBL4327278 0.88 SLC6A4 (0.46) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4331733 0.86 SLC6A4 (0.46) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4316512 0.85 SLC6A4 (0.52) SLC6A4HRH3SLC6A2SLC6A3

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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