SCHEMBL8197944

SCHEMBL8197944

CC(CNC(=O)OC(C)(C)C)c1cc(N)c(C(=O)c2ccccc2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
SYK P43405 1/20 0.39
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
PPARD Q03181 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
ACACB O00763 2/20 0.37
ACACA Q13085 2/20 0.37
KDM4E B2RXH2 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL8198952 0.84 SYK (0.39) AAK1SYKPPARGPPARAPPARD
SCHEMBL8211311 0.79 LMNA (0.45) MAPK13MAPK12MAPK11MAPK14ACACB
SCHEMBL27514084 0.78 MAPT (0.39) AAK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL27541210 0.78 MAPT (0.37) MAPK13MAPK12MAPK11MAPK14GABRP
SCHEMBL8197947 0.77 IDO1 (0.41) ACACBACACAKDM4EMEN1ALDH1A1
Ethane SCHEMBL27542331 0.77 MAPT (0.38) AAK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6187668 0.75 MAPK13 (0.40) PPARGPPARAPPARDMAPK13MAPK12
SCHEMBL15092806 0.73 AAK1 (0.51) AAK1SYKNPC1RAB9AMEN1
SCHEMBL6189596 0.72 POLB (0.41) PPARGPPARAPPARDMAPK13MAPK12
SCHEMBL19847664 0.71 CTSK (0.52) SYKNPC1RAB9A

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-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO disclosed