SCHEMBL6882391

SCHEMBL6882391

CCOC(=O)[C@H]1CCCC1c1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.58
SLC6A2 P23975 2/20 0.58
SLC6A3 Q01959 2/20 0.58

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
SCHEMBL6083224 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL6083209 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL6083214 1.00 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL6083581 0.89 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3
SCHEMBL17792961 0.89 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3
SCHEMBL6083569 0.89 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3
SCHEMBL6083574 0.89 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3
SCHEMBL6084069 0.86 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3
SCHEMBL6084064 0.86 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3
SCHEMBL6085148 0.85 SLC6A4 (0.61) 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-2004026237-A2 COMPOUNDS FOR THE TREATMENT OF PREMATURE EJACULATION BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-01 WO disclosed