SCHEMBL6166744

SCHEMBL6166744

CN(C)c1cc(NC(=O)O)c(NC(=O)CC(=O)c2cccc(-n3nncc3COC3CCCCO3)c2)cc1C#N

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.34
CREBBP Q92793 2/20 0.34
EP300 Q09472 1/20 0.34

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
SCHEMBL6167532 0.93 EP300 (0.32) HSD11B1CREBBPEP300
SCHEMBL6609350 0.91 HSD11B1 (0.36) HSD11B1CREBBPEP300
SCHEMBL6165819 0.88 EP300 (0.31) HSD11B1CREBBPEP300
SCHEMBL6626793 0.87 EP300 (0.33) HSD11B1CREBBPEP300
SCHEMBL6165534 0.86 EP300 (0.32) HSD11B1CREBBPEP300
SCHEMBL6165572 0.86 EP300 (0.30) HSD11B1CREBBPEP300
SCHEMBL6163327 0.86 HSD11B1 (0.34) HSD11B1CREBBPEP300
SCHEMBL6165821 0.84 HSD11B1 (0.33) HSD11B1CREBBPEP300
SCHEMBL6165565 0.84 EP300 (0.33) HSD11B1CREBBPEP300
SCHEMBL6608546 0.83 HSD11B1 (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed