SCHEMBL6609350

SCHEMBL6609350

CN(C)c1cc(NC(=O)O)c(NC(=O)CC(=O)c2cccc(-n3nncc3COC3CCCCO3)c2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.36
CREBBP Q92793 2/20 0.35
EP300 Q09472 1/20 0.35
RORC P51449 1/20 0.31
PTGER1 P34995 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6165821 0.93 HSD11B1 (0.33) HSD11B1CREBBPEP300
SCHEMBL6166744 0.91 HSD11B1 (0.34) HSD11B1CREBBPEP300
SCHEMBL6608114 0.88 NPY2R (0.35) HSD11B1CREBBPEP300
SCHEMBL6626793 0.88 EP300 (0.33) HSD11B1CREBBPEP300
SCHEMBL6164841 0.88 EP300 (0.32) HSD11B1CREBBPEP300
SCHEMBL6624529 0.87 NPY2R (0.35) HSD11B1CREBBPEP300
SCHEMBL6164700 0.87 EP300 (0.32) HSD11B1CREBBPEP300
SCHEMBL6165935 0.87 EP300 (0.32) HSD11B1CREBBPEP300
SCHEMBL6163327 0.87 HSD11B1 (0.34) HSD11B1CREBBPEP300
SCHEMBL6163377 0.86 EP300 (0.32) HSD11B1CREBBPEP300

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