SCHEMBL27655347

SCHEMBL27655347

Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccccn2)s1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 20/20 0.82
SLC5A1 P13866 3/20 0.69
ABCB11 O95342 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
SLC6A4 P31645 1/20 0.69
SLC6A3 Q01959 1/20 0.69

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
SCHEMBL152222 0.90 SLC5A2 (1.00) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL13278337 0.90 SLC5A2 (1.00) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL17294095 0.86 SLC5A2 (0.83) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL28404062 0.86 SLC5A2 (0.83) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL153045 0.86 SLC5A2 (0.78) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL17627815 0.85 SLC5A2 (0.77) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL155302 0.85 SLC5A2 (0.75) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL13278518 0.85 SLC5A2 (0.75) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL147477 0.83 SLC5A2 (0.85) SLC5A2SLC5A1ABCB11ADORA3SLC6A4
SCHEMBL17034652 0.83 SLC5A2 (0.85) SLC5A2SLC5A1ABCB11ADORA3SLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104109155-A Novel compounds TANABE SEIYAKU CO 2014-10-22 CN disclosed
CN-103819465-A Novel compound MITSUBISHI TANABE PHARMA CORP 2014-05-28 CN disclosed
CN-103214471-A Novel compound MITSUBISHI TANABE PHARMA CORP 2013-07-24 CN disclosed
CN-1829729-A Novel compounds TANABE SEIYAKU CO (JP) 2006-09-06 CN disclosed