SCHEMBL8206463

SCHEMBL8206463

CC(C)(C)OC(=O)NCc1cc(Cl)cc(C(=O)c2ccccc2)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.43
KDM4A O75164 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL8199082 0.89 NQO2 (0.44)
SCHEMBL8198955 0.87 BRD4 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6188718 0.86 EPHX2 (0.41) KCNA5KDM4AHDAC1
SCHEMBL6192178 0.84 KCNA5 (0.48) KCNA5KDM4AHDAC10HDAC6HDAC1
SCHEMBL8198952 0.81 SYK (0.39) KCNA5GABRPGABRDGABRA1GABRB1
SCHEMBL8197856 0.81 MAPT (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27536806 0.79 SLC7A5 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6189596 0.79 POLB (0.41) KCNA5KDM4AHDAC1ACACBACACA
SCHEMBL27536876 0.78 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8208496 0.78 KDM4A (0.40) KCNA5KDM4AHDAC10HDAC6HDAC1

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