SCHEMBL4062013

SCHEMBL4062013

CC(C)c1cn2cccc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2n1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 15/20 0.37
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL4062015 1.00 HTR4 (0.37) HTR4HCRTR1HCRTR2ADORA3
SCHEMBL4066331 0.85 PSEN1 (0.32) ADORA3
SCHEMBL4066336 0.85 PSEN1 (0.32) ADORA3
SCHEMBL4061530 0.80 ALDH1A3 (0.45) ADORA3
SCHEMBL4061527 0.80 ALDH1A3 (0.45) ADORA3
SCHEMBL4059922 0.80 ADORA3 (0.35) ADORA3
SCHEMBL4059918 0.80 ADORA3 (0.35) ADORA3
SCHEMBL4066121 0.77 HTR4 (0.37) HTR4HCRTR1HCRTR2
SCHEMBL4066124 0.77 HTR4 (0.37) HTR4HCRTR1HCRTR2
SCHEMBL4066428 0.77 SSTR4 (0.36) ADORA3

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
EP-2041153-B1 NEW 5-THIOXYLOPYRANOSE DERIVATIVES FOURNIER LAB SA (FR) 2009-10-21 EP disclosed