SCHEMBL8197856

SCHEMBL8197856

CC(C)(C)OC(=O)Nc1cc(Cl)cc(C(=O)c2ccccc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 4/20 0.42
LMNA P02545 1/20 0.42
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 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
SCHEMBL27536876 0.81 GABRP (0.44) MAPTHSP90AA1ALDH1A1CYP1A2CYP3A4
SCHEMBL8206463 0.81 KCNA5 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8199082 0.79 NQO2 (0.44) LMNA
SCHEMBL2703465 0.78 ALDH1A1 (0.54) MAPTALDH1A1CYP2C9CYP2C19TP53
SCHEMBL8198952 0.77 SYK (0.39) MAPTSMN1; SMN2ALDH1A1LMNAGABRP
SCHEMBL8198955 0.77 BRD4 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16712902 0.77 TP53 (0.43) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL16109601 0.76 RXFP1 (0.48) MAPTHSP90AA1HSP90AB1SMN1; SMN2ALDH1A1
SCHEMBL27513393 0.75 GABRP (0.40) MAPTLMNAGABRPGABRDGABRA1
SCHEMBL5869074 0.75 ABCC9 (0.48) MAPTALDH1A1LMNATHRBGAA

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
CN-1252795-A 4, 1-benzoxazepine *, their analogs and their use as somatostatin agonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-05-10 CN disclosed
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