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SCHEMBL4336739

SCHEMBL4336739

CC(C)COC(=O)Oc1ccc2c(c1)CN(C)CC2C1(OC(=O)OCC(C)C)CCCCC1.COc1ccc(C(=O)Oc2ccc3c(c2)CN(C)CC3C2(O)CCCCC2)c(OC)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP2D6 P10635 3/20 0.32
▸ SLC6A4 P31645 4/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.32
▸ KDM2B Q8NHM5 3/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HTR2A P28223 1/20 0.31

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
SCHEMBL4336742 0.89 KMT2A (0.31) KMT2AMEN1SLC6A4RAB9AHRH3
SCHEMBL4316588 0.87 KMT2A (0.43) KMT2AMEN1SLC6A4SLC6A2SLC6A3
SCHEMBL4331742 0.85 CA2 (0.37) CYP2D6SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4462120 0.84 CA2 (0.38) CYP2D6SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4325084 0.78 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4461859 0.77 SLC6A4 (0.39) KMT2AMEN1SLC6A4SLC6A2SLC6A3
SCHEMBL4326421 0.75 SLC6A4 (0.40) KMT2AMEN1SLC6A4SLC6A2SLC6A3
SCHEMBL4316512 0.74 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4316957 0.72 SLC6A4 (0.39) CYP2D6SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4321880 0.71 SLC6A4 (0.42) KMT2ASLC6A4SLC6A2SLC6A3HRH3

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 claimed
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