SCHEMBL3398167

SCHEMBL3398167

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2ccc(-c3ccc(Cl)nc3)nc2)SC[C@H]1OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CHRNA7 P36544 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
PIK3CD O00329 1/20 0.30
CHRM4 P08173 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
DGAT1 O75907 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
SCHEMBL315023 1.00 NAAA (0.33) NAAAPDE10ACHRNA7RXFP1PIK3CD
SCHEMBL4859819 0.93 CHRM4 (0.33) CHRNA7CHRM4
SCHEMBL4859809 0.93 CHRM4 (0.33) CHRNA7CHRM4
SCHEMBL314941 0.89 CHRNA7 (0.35) NAAAPDE10ACHRNA7RXFP1PIK3CD
SCHEMBL3399328 0.89 CHRNA7 (0.35) NAAAPDE10ACHRNA7RXFP1PIK3CD
SCHEMBL315460 0.88 CHRNA7 (0.32) CHRNA7RXFP1CHRM4CYP4F2CYP4A11
SCHEMBL3401000 0.88 CHRNA7 (0.32) CHRNA7RXFP1CHRM4CYP4F2CYP4A11
SCHEMBL2142885 0.88 CHRNA7 (0.44) CHRNA7RXFP1CYP4F2CYP4A11
SCHEMBL2138931 0.88 RXFP1 (0.44) NAAACHRNA7RXFP1
SCHEMBL5275422 0.88 RXFP1 (0.44) NAAACHRNA7RXFP1

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