SCHEMBL4335624

SCHEMBL4335624

CN1Cc2ccccc2C(C(CO)c2cccs2)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 15/20 0.51
▸ SLC6A4 P31645 15/20 0.51
▸ SLC6A3 Q01959 14/20 0.51
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL4321716 0.84 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL4335621 0.76 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6MAPT
SCHEMBL15131035 0.71 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL19010135 0.71 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL19010138 0.71 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL4470164 0.68 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL4328470 0.68 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL12363776 0.67 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL4319928 0.65 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL10957858 0.64 SLC6A2 (0.59) 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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