SCHEMBL7704399

SCHEMBL7704399

N#CCOc1cc(NC(=O)O)c(NC(=O)CC(=O)c2cccc(C#N)c2)cc1C#Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.40
GSK3B P49841 1/20 0.39
GRM5 P41594 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
RAB9A P51151 1/20 0.36
HDAC3 O15379 1/20 0.36
VNN1 O95497 1/20 0.36
TRPM4 Q8TD43 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL7149260 0.89 RORC (0.37) FFAR1GSK3BGRM5MEN1KMT2A
SCHEMBL7703990 0.84 GSK3B (0.41) FFAR1GSK3BGRM5MEN1KMT2A
SCHEMBL6612119 0.81 GSK3B (0.40) GSK3BGRM5MEN1KMT2ARAB9A
SCHEMBL7706579 0.80 PTGDR2 (0.42) FFAR1PTGDR2TRPM4
SCHEMBL7141229 0.80 HTT (0.37) GSK3BMEN1KMT2AHDAC3VNN1
SCHEMBL7142666 0.80 PTGDR2 (0.36) GSK3BMEN1KMT2APTGDR2VNN1
SCHEMBL7146923 0.79 SLC16A3 (0.36) MEN1KMT2AHDAC3
SCHEMBL7701365 0.79 HTT (0.40) GRM5MEN1KMT2ARAB9A
SCHEMBL7142827 0.79 KMT2A (0.43) GSK3BMEN1KMT2ARAB9A
SCHEMBL7704027 0.78 FFAR1 (0.49) FFAR1MEN1KMT2APTGDR2RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed