SCHEMBL4774070

SCHEMBL4774070

CCCCC(CC)[C@@H](N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.52
MAPK1 P28482 1/20 0.52
SLC1A2 P43004 2/20 0.48
SLC1A1 P43005 2/20 0.48
SLC1A3 P43003 1/20 0.48
CA1 P00915 2/20 0.45
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
SLC7A5 Q01650 1/20 0.39
DPP7 Q9UHL4 2/20 0.39
SLC15A1 P46059 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39

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
SCHEMBL29634861 1.00 CA2 (0.52) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL27637001 1.00 CA2 (0.52) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL21981372 0.88 SLC1A2 (0.48) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL7055852 0.87 CHRM1 (0.46) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL21054364 0.86 GSR (0.45) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL21054367 0.86 GSR (0.45) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL2983833 0.85 GRIK1 (0.53) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL7053586 0.85 CHRM1 (0.44) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL3100665 0.85 GRIK1 (0.53) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL2983835 0.85 GRIK1 (0.53) SLC1A2SLC1A1SLC1A3GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585749-B1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER (US) 2008-08-13 EP disclosed
EP-1947102-A1 Compositions comprising diazepinoindole derivatives as kinase inhibitors Pfizer, Inc. (US) 2008-07-23 EP disclosed
CN-1759118-A Diazepinoindole derivatives as kinase inhibitors PFIZER (US) 2006-04-12 CN disclosed