SCHEMBL6622656

SCHEMBL6622656

O=C(O)CC(=O)c1cccc(-n2nncc2CCOC2CCCCO2)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.45
KDM4C Q9H3R0 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6622927 0.91 HSD11B1 (0.42) HSD11B1MEN1KMT2A
SCHEMBL6167137 0.90 HSD11B1 (0.42) HSD11B1KDM4CMEN1KMT2AL3MBTL1
SCHEMBL6167402 0.89 HSD11B1 (0.46) HSD11B1KDM4CMEN1KMT2AL3MBTL1
SCHEMBL6165357 0.81 HSD11B1 (0.40) HSD11B1MEN1KMT2A
SCHEMBL6608546 0.81 HSD11B1 (0.36) HSD11B1KDM4CL3MBTL1
SCHEMBL6167484 0.79 HSD11B1 (0.43) HSD11B1L3MBTL1
SCHEMBL6167437 0.78 HSD11B1 (0.33) HSD11B1
SCHEMBL6611947 0.75 MLLT3 (0.45) HSD11B1MEN1KMT2ANPC1RAB9A
SCHEMBL6609350 0.73 HSD11B1 (0.36) HSD11B1
SCHEMBL6608114 0.73 NPY2R (0.35) HSD11B1MEN1KMT2A

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-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO disclosed