SCHEMBL3399341

SCHEMBL3399341

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2ccc(-c3cncc(C)c3)nc2)SC[C@H]1OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL314889 1.00 CHRNA7 (0.33) CHRNA7HCRTR1HCRTR2
SCHEMBL316055 0.90 FYN (0.36)
SCHEMBL3395501 0.90 PTGES (0.31) HCRTR1HCRTR2
SCHEMBL3393927 0.90 FYN (0.36)
SCHEMBL314799 0.90 PTGES (0.31) HCRTR1HCRTR2
SCHEMBL3395494 0.90 ABL1 (0.33)
SCHEMBL315697 0.90 ABL1 (0.33)
SCHEMBL314637 0.89 CHRNA7 (0.32) CHRNA7
SCHEMBL314638 0.89 CHRNA7 (0.32) CHRNA7
SCHEMBL3395491 0.89 CYP3A4 (0.34)

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-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed