SCHEMBL5026565

SCHEMBL5026565

Cc1cccc(NC(=O)c2cc(F)cc(Br)c2)n1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.82
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SORT1 Q99523 2/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL8174676 0.81 GRM5 (0.76) GRM5
SCHEMBL28326270 0.80 GRM5 (0.76) GRM5KMT2ANPC1RAB9AHSD17B10
SCHEMBL13296220 0.78 GRM5 (0.82) GRM5KMT2ANPC1RAB9AHSD17B10
SCHEMBL23733271 0.78 GRM5 (0.72) GRM5MEN1KMT2ASORT1NPC1
SCHEMBL5029221 0.77 GRM5 (0.70) GRM5KMT2A
SCHEMBL1795107 0.77 GRM5 (0.70) GRM5MEN1KMT2ASORT1NPC1
SCHEMBL9377973 0.76 GRM5 (0.69) GRM5KMT2ASORT1NPC1RAB9A
SCHEMBL9963860 0.76 GRM5 (0.75) GRM5NPC1RAB9A
SCHEMBL9753586 0.75 RAB9A (0.88) GRM5MEN1KMT2ANPC1RAB9A
SCHEMBL8557860 0.75 GRM5 (1.00) GRM5SORT1NPC1RAB9A

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-2008092072-A2 MODULATORS OF THE METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 5 AND USES THEREOF GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-07-31 WO disclosed