SCHEMBL8198952

SCHEMBL8198952

CC(CNC(=O)OC(C)(C)C)c1cc(Cl)cc(C(=O)c2ccccc2)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
PPARG P37231 5/20 0.37
PPARA Q07869 4/20 0.37
PPARD Q03181 2/20 0.37

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
SCHEMBL8197944 0.84 AAK1 (0.40) SYKGABRPGABRDGABRA1GABRB1
SCHEMBL8206463 0.81 KCNA5 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8199082 0.79 NQO2 (0.44) LMNAMEN1KMT2A
SCHEMBL27513393 0.78 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8205525 0.78 ACACB (0.34) SYKPPARGPPARAPPARDACACB
SCHEMBL27536809 0.78 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8198955 0.78 BRD4 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8197856 0.77 MAPT (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27536876 0.75 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27536792 0.72 MAPT (0.40) GABRPGABRDGABRA1GABRB1GABRG2

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