SCHEMBL4463783

SCHEMBL4463783

COc1cc2c(cc1OC)C(C(C)(C)O)CN(C)C2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.44
▸ SLC6A4 P31645 3/20 0.44
▸ MAOB P27338 2/20 0.44
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ RAD52 P43351 1/20 0.38
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KCNN2 Q9H2S1 3/20 0.37
▸ KCNN3 Q9UGI6 3/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ KCNN1 Q92952 1/20 0.37
▸ DRD1 P21728 1/20 0.36
▸ SLC18A2 Q05940 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
SCHEMBL4465797 0.86 MAOA (0.42) MAOASLC6A4MAOBCYP3A4CYP2D6
SCHEMBL10955829 0.80 MAOA (0.50) MAOASLC6A4MAOBCYP3A4CYP2D6
SCHEMBL4469390 0.72 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL18256785 0.70 SLC6A4 (0.40) MAOASLC6A4MAOBCYP3A4CYP2D6
SCHEMBL4452789 0.70 PKM (0.50) MAOASLC6A4MAOBCYP3A4CYP2D6
SCHEMBL9424882 0.69 MAOB (0.73) MAOASLC6A4MAOBCYP3A4RAD52
SCHEMBL29516234 0.69 HTR2C (0.43) MAOASLC6A4MAOBSLC6A2SLC6A3
SCHEMBL4328800 0.68 SLC6A4 (0.38) MAOASLC6A4MAOBCYP3A4CYP2D6
SCHEMBL4459145 0.68 PKM (0.43) MAOASLC6A4MAOBCYP3A4CYP2D6
SCHEMBL4462738 0.68 MAOA (0.38) MAOASLC6A4MAOBCYP3A4CYP2D6

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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