SCHEMBL4316503

SCHEMBL4316503

CN1Cc2cc(-c3ccccc3)ccc2C(C2(O)CCCCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 11/20 0.40
▸ SLC6A3 Q01959 11/20 0.40
▸ SLC6A4 P31645 10/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ UCHL1 P09936 1/20 0.35
▸ USP30 Q70CQ3 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
SCHEMBL4323108 0.83 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4
SCHEMBL4458919 0.83 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4
SCHEMBL4451508 0.82 SLC6A4 (0.46) SLC6A2SLC6A3SLC6A4HRH3
SCHEMBL4325036 0.82 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4DRD2DRD1
SCHEMBL4461630 0.82 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4
SCHEMBL4457595 0.81 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4HRH3
SCHEMBL4316512 0.79 SLC6A4 (0.52) SLC6A2SLC6A3SLC6A4HRH3
SCHEMBL4326357 0.79 SLC6A4 (0.50) SLC6A2SLC6A3SLC6A4HRH3
SCHEMBL4321880 0.79 SLC6A4 (0.42) SLC6A2SLC6A3SLC6A4HRH3
SCHEMBL4331733 0.77 SLC6A4 (0.46) SLC6A2SLC6A3SLC6A4HRH3

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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