SCHEMBL8209894

SCHEMBL8209894

CCONC(=O)c1cc(OC2CCCCO2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
CREBBP Q92793 1/20 0.38
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 3/20 0.36
GCK P35557 1/20 0.36
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
TNK2 Q07912 1/20 0.35
ALOX15 P16050 1/20 0.34
S1PR3 Q99500 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6190860 0.77 DHFR (0.39) DHFRHSD11B1MEN1KMT2AHPGD
SCHEMBL15654560 0.73 MEN1 (0.47) DHFRCREBBPHSD11B1MEN1KMT2A
SCHEMBL3905489 0.72 CA12 (0.46) HSD11B1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL4119366 0.72 MAOB (0.40) DHFRCREBBPHSD11B1MEN1KMT2A
SCHEMBL6908438 0.72 GAA (0.41) DHFRCREBBPHSD11B1MEN1KMT2A
SCHEMBL8771671 0.71 KDM4E (0.45) MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL8205627 0.71 SLC6A3 (0.34) DHFRKMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL29793522 0.71 DHFR (0.44) DHFRHSD11B1MEN1KMT2AICAM1
SCHEMBL3038070 0.71 DHFR (0.44) DHFRHSD11B1MEN1KMT2ATNK2
SCHEMBL22789783 0.70 ACMSD (0.48) DHFRHSD11B1MEN1KMT2AHPGD

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