SCHEMBL4316588

SCHEMBL4316588

COc1ccc(C(=O)Oc2ccc3c(c2)CN(C)CC3C2(O)CCCCC2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ SLC6A2 P23975 4/20 0.41
▸ SLC6A4 P31645 4/20 0.41
▸ SLC6A3 Q01959 4/20 0.41
▸ KDM2B Q8NHM5 3/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4336739 0.87 KMT2A (0.33) KMT2ASLC6A2SLC6A4SLC6A3KDM2B
SCHEMBL4316512 0.86 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL4322610 0.82 KMT2A (0.42) KMT2ASLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL4328719 0.79 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL4316957 0.79 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL4321880 0.79 SLC6A4 (0.42) KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL4326421 0.79 SLC6A4 (0.40) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL4331669 0.76 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL4462120 0.76 CA2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL4336742 0.76 KMT2A (0.31) KMT2ASLC6A4RAB9AMEN1

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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