SCHEMBL8225124

SCHEMBL8225124

CCCCOC(=O)NCC(O)(c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.47
SCN5A Q14524 3/20 0.47
SCN9A Q15858 3/20 0.47
FAAH O00519 1/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL14829969 0.74 NPSR1 (0.48) SCN5ASCN9ASMN1; SMN2LMNAMEN1
SCHEMBL5420585 0.73 POLB (0.49) FAAHRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL10879703 0.73 BCHE (0.50) FAAH
SCHEMBL8276051 0.72 EPHX2 (0.58) EPHX2FAAHSMN1; SMN2HPGDMEN1
SCHEMBL12267924 0.72 SCN5A (0.65) SCN5ASCN9ASMN1; SMN2
SCHEMBL3519625 0.72 CNR1 (0.42) EPHX2FAAHRAB9ASMN1; SMN2NPC1
SCHEMBL27648733 0.71 RAB9A (0.44) FAAHRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL11218133 0.71 EPHX2 (0.79) EPHX2RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL11618396 0.71 KIF11 (0.49) SCN5ASCN9ASMN1; SMN2MEN1KMT2A
SCHEMBL7377471 0.71 EPHX2 (0.51) EPHX2FAAHRAB9ASMN1; SMN2NPC1

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