SCHEMBL4461859

SCHEMBL4461859

CCOC(=O)Oc1ccc2c(c1)CN(C)CC2C1(OC(=O)OCC)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 14/20 0.39
▸ SLC6A2 P23975 4/20 0.39
▸ SLC6A3 Q01959 4/20 0.39
▸ MMP8 P22894 3/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ HRH3 Q9Y5N1 10/20 0.34
▸ CA2 P00918 1/20 0.33

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
SCHEMBL4325084 0.93 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4331742 0.89 CA2 (0.37) SLC6A4SLC6A2SLC6A3HRH3CA2
SCHEMBL4326421 0.88 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3MMP8MMP3
SCHEMBL4462120 0.77 CA2 (0.38) SLC6A4SLC6A2SLC6A3HRH3CA2
SCHEMBL4336739 0.77 KMT2A (0.33) SLC6A4SLC6A2SLC6A3KMT2AMEN1
SCHEMBL4321880 0.76 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3KMT2AHRH3
SCHEMBL4323128 0.73 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4336742 0.72 KMT2A (0.31) SLC6A4KMT2AMEN1HRH3
SCHEMBL4316957 0.71 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4338664 0.70 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HRH3

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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