SCHEMBL4460253

SCHEMBL4460253

CCC(O)(CC)C1CN(C)Cc2cc(OC)ccc21.COc1ccc2c(c1)CN(C)CC2C1(O)CCC(=O)CC1.COc1ccc2c(c1)CN(C)CC2C1(O)CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 18/20 0.37
▸ SLC6A2 P23975 6/20 0.37
▸ SLC6A3 Q01959 6/20 0.37
▸ HRH3 Q9Y5N1 12/20 0.35
▸ HTR2C P28335 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
SCHEMBL4328719 0.85 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4338598 0.84 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HRH3HTR2C
SCHEMBL4455973 0.80 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4316512 0.73 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4459508 0.72 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4333697 0.71 MAOA (0.40) SLC6A4
SCHEMBL4331669 0.70 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4459145 0.69 PKM (0.43) SLC6A4HTR2C
SCHEMBL4455516 0.69 STS (0.46) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL4333706 0.68 SLC6A2 (0.44) SLC6A4SLC6A2SLC6A3

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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