SCHEMBL4317443

SCHEMBL4317443

COc1cc2c(c(OC)c1OC)CN(C)CC2C1(O)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ DRD1 P21728 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4452789 0.81 PKM (0.50) PKMSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL4316512 0.72 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL4462738 0.69 MAOA (0.38) PKMSLC6A4KDM4EBCHE
SCHEMBL4328800 0.69 SLC6A4 (0.38) PKMSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL4459145 0.69 PKM (0.43) PKMLMNASLC6A4KDM4EALDH1A1
SCHEMBL4333697 0.68 MAOA (0.40) PKMMAPTSLC6A4KDM4EALDH1A1
SCHEMBL4338581 0.68 MAOA (0.38) PKMSLC6A4KDM4E
SCHEMBL4323108 0.67 SLC6A2 (0.48) MAPTLMNASLC6A2SLC6A4SLC6A3
SCHEMBL4458919 0.67 SLC6A2 (0.48) MAPTLMNASLC6A2SLC6A4SLC6A3
SCHEMBL4325036 0.67 SLC6A2 (0.50) DRD1SLC6A2SLC6A4SLC6A3DRD2

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 2 patents. 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 claimed
WO-2009118765-A2 NOVEL MONOAMINE RE-UPTAKE INHIBITOR PANACEA BIOTEC LIMITED (GB) 2009-10-01 — — WO disclosed
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