SCHEMBL16870868

SCHEMBL16870868

O=C(c1nccs1)N1CCCC1c1cnc(Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.66
CCNC P24863 9/20 0.45
CDK8 P49336 9/20 0.45
DRD2 P14416 1/20 0.39
GSK3A P49840 1/20 0.39
CDK9 P50750 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SCD5 Q86SK9 1/20 0.38

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
SCHEMBL16870869 0.80 GRM5 (1.00) GRM5
SCHEMBL28177282 0.72 GAA (0.49) GRM5SCD5
SCHEMBL28284253 0.72 GAA (0.49) GRM5SCD5
SCHEMBL23504274 0.69 GRM5 (1.00) GRM5
SCHEMBL16870913 0.69 GRM5 (1.00) GRM5
SCHEMBL3453680 0.69
SCHEMBL7481526 0.68 GRM5 (0.36) GRM5CCNCCDK8DRD2GSK3A
SCHEMBL28284252 0.68 HPGD (0.55) GRM5
SCHEMBL7098848 0.68 GRM5 (0.37) GRM5
SCHEMBL7955425 0.67 TDP1 (0.45) GRM5

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-2015098991-A1 N-ALKYLAMIDE DERIVATIVE AND MEDICINAL USE THEREOF 東レ株式会社 2015-07-02 WO disclosed