SCHEMBL4320735

SCHEMBL4320735

COc1cc2c(cc1OC)C(C1(O)CCC(=NO)CC1)CN(C)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.39
▸ MAOB P27338 2/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ SLC18A2 Q05940 1/20 0.34
▸ RAD52 P43351 1/20 0.34

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
SCHEMBL4333697 0.86 MAOA (0.40) MAOAMAOBSLC6A4PKMMEN1
SCHEMBL4452789 0.84 PKM (0.50) MAOAMAOBSLC6A4PKMCYP3A4
SCHEMBL4328800 0.82 SLC6A4 (0.38) MAOAMAOBSLC6A4PKMCYP3A4
SCHEMBL4462738 0.82 MAOA (0.38) MAOAMAOBSLC6A4PKMCYP3A4
SCHEMBL4459145 0.82 PKM (0.43) MAOAMAOBSLC6A4PKMKMT2A
SCHEMBL4338581 0.81 MAOA (0.38) MAOAMAOBSLC6A4PKMCYP3A4
SCHEMBL4469056 0.79 CYP3A4 (0.31) CYP3A4CYP2D6
SCHEMBL4317478 0.78 SLC6A2 (0.43) SLC6A4
SCHEMBL10955829 0.71 MAOA (0.50) MAOAMAOBSLC6A4CYP3A4CYP2D6
SCHEMBL4328719 0.70 SLC6A4 (0.49) SLC6A4

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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