SCHEMBL4332166

SCHEMBL4332166

CN1Cc2ccccc2C(CC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 20/20 0.51
▸ SLC6A4 P31645 20/20 0.51
▸ SLC6A3 Q01959 19/20 0.51
▸ CYP2D6 P10635 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
SCHEMBL12363801 0.81 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL21081146 0.81 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL19020711 0.81 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL12363776 0.80 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL19010163 0.77 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL19010153 0.77 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL19010164 0.77 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL19852201 0.75 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL11036203 0.75 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL17148642 0.75 SLC6A2 (0.56) 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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