SCHEMBL6608840

SCHEMBL6608840

CN(C)Cc1cnnn1-c1cccc(C(=O)CC(=O)Nc2cc(F)c(N(C)C)cc2NC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.42
RAB9A P51151 1/20 0.33
CPB1 P15086 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL6607778 0.90 HSD11B1 (0.44) HSD11B1RAB9AKMT2A
SCHEMBL6626827 0.90 HSD11B1 (0.40) HSD11B1KMT2A
SCHEMBL6168329 0.89 HSD11B1 (0.37) HSD11B1
SCHEMBL28742834 0.83 HSD11B1 (0.34) HSD11B1
SCHEMBL6162617 0.80 HSD11B1 (0.36) HSD11B1
SCHEMBL6164562 0.80 HSD11B1 (0.39) HSD11B1
SCHEMBL6626656 0.79 HSD11B1 (0.52) HSD11B1
SCHEMBL6165565 0.74 EP300 (0.33) HSD11B1KMT2A
SCHEMBL6626793 0.74 EP300 (0.33) HSD11B1
SCHEMBL27516904 0.74 HSD11B1 (0.33) HSD11B1

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