SCHEMBL6626656

SCHEMBL6626656

CN(C)Cc1cnnn1-c1cccc(C(=O)CC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.52
TP53 P04637 1/20 0.39

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
SCHEMBL6163606 0.85 HSD11B1 (0.46) HSD11B1
SCHEMBL6166266 0.85 TP53 (0.52) HSD11B1TP53
SCHEMBL6626827 0.77 HSD11B1 (0.40) HSD11B1
SCHEMBL6164562 0.73 HSD11B1 (0.39) HSD11B1
SCHEMBL6622656 0.71 HSD11B1 (0.45) HSD11B1
SCHEMBL6165700 0.70 HSD11B1 (0.59) HSD11B1TP53
SCHEMBL6163897 0.69 HSD11B1 (0.58) HSD11B1TP53
SCHEMBL6623169 0.69 NOTUM (0.54) TP53
SCHEMBL27515880 0.67 HSD11B1 (0.51) HSD11B1
SCHEMBL6607286 0.64 LMNA (0.64)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1268626-C Dihydro-benzo(b)(1,4)diazepin-2-one derivatives as mglur2 antagonists I HOFFMANN LA ROCHE (CH) 2006-08-09 CN disclosed
CN-1522252-A Dihydro-benzo(b)(1,4)diazepin-2-one derivatives as mglur2 antagonists I - 2004-08-18 CN disclosed
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