SCHEMBL4465797

SCHEMBL4465797

CCC(O)(CC)C1CN(C)Cc2cc(OC)c(OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.42
▸ MAOB P27338 2/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ KCNN2 Q9H2S1 4/20 0.38
▸ KCNN3 Q9UGI6 4/20 0.38
▸ KCNN1 Q92952 2/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ SLC18A2 Q05940 4/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ACHE P22303 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
SCHEMBL4463783 0.86 MAOA (0.44) MAOAMAOBSLC6A4KCNN2KCNN3
SCHEMBL4455973 0.81 SLC6A4 (0.54) SLC6A4
SCHEMBL10955829 0.77 MAOA (0.50) MAOAMAOBSLC6A4KCNN2KCNN3
SCHEMBL4473882 0.74 SLC6A2 (0.50) SLC6A4
SCHEMBL18256785 0.68 SLC6A4 (0.40) MAOAMAOBSLC6A4CYP3A4CYP2D6
SCHEMBL4452789 0.68 PKM (0.50) MAOAMAOBSLC6A4SLC18A2CYP3A4
SCHEMBL9424882 0.67 MAOB (0.73) MAOAMAOBSLC6A4ABCB1CYP3A4
SCHEMBL29516234 0.67 HTR2C (0.43) MAOAMAOBSLC6A4
SCHEMBL4319951 0.66 CYP3A4 (0.46) SLC6A4CYP3A4CYP2D6
SCHEMBL4319946 0.66 CHRNA7 (0.47) SLC6A4CYP3A4CYP2D6

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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