SCHEMBL6608546

SCHEMBL6608546

CN(C)c1cc(NC(=O)O)c(NC(=O)CC(=O)c2cccc(-n3nncc3CCOC3CCCCO3)c2)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.36
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 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
SCHEMBL6167437 0.93 HSD11B1 (0.33) HSD11B1
SCHEMBL6166485 0.87 EP300 (0.32) HSD11B1EP300CREBBPL3MBTL1
SCHEMBL6635699 0.86 CREBBP (0.35) HSD11B1EP300CREBBPL3MBTL1POLB
SCHEMBL6609350 0.84 HSD11B1 (0.36) HSD11B1EP300CREBBP
SCHEMBL6166744 0.83 HSD11B1 (0.34) HSD11B1EP300CREBBP
SCHEMBL6626827 0.82 HSD11B1 (0.40) HSD11B1L3MBTL1POLB
SCHEMBL6622826 0.82 EP300 (0.33) HSD11B1EP300CREBBPPOLB
SCHEMBL6621778 0.82 EP300 (0.33) HSD11B1EP300CREBBPPOLB
SCHEMBL6626793 0.82 EP300 (0.33) HSD11B1EP300CREBBP
SCHEMBL6164832 0.81 EP300 (0.31) HSD11B1EP300CREBBP

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