SCHEMBL4469390

SCHEMBL4469390

CN1Cc2ccccc2C(C(C)(C)O)C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 20/20 0.53
▸ SLC6A4 P31645 20/20 0.53
▸ SLC6A3 Q01959 19/20 0.53

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
SCHEMBL17148642 0.86 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL4454609 0.86 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL4473882 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL4476207 0.80 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL10957858 0.75 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3
SCHEMBL4328470 0.73 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL19021474 0.73 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3
SCHEMBL11937063 0.73 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3
SCHEMBL4332166 0.72 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL4463783 0.72 MAOA (0.44) SLC6A2SLC6A4SLC6A3

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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