SCHEMBL6607850

SCHEMBL6607850

CN(C)c1cc(NC(=O)O)c(NC(=O)CC(=O)c2cccc(-n3cc(COC4CCCCO4)cn3)c2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.39
EP300 Q09472 1/20 0.39
MAPK10 P53779 15/20 0.37
MLLT3 P42568 1/20 0.34
MLLT1 Q03111 1/20 0.34
MAPK8 P45983 10/20 0.34
MAPK9 P45984 5/20 0.33
CYP2C9 P11712 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL6164847 0.93 CREBBP (0.37) CREBBPEP300MAPK10MLLT3MLLT1
SCHEMBL6609350 0.85 HSD11B1 (0.36) CREBBPEP300
SCHEMBL6164284 0.84 CREBBP (0.36) CREBBPEP300MAPK10MLLT3MLLT1
SCHEMBL6611947 0.81 MLLT3 (0.45) CREBBPEP300MAPK10MLLT3MLLT1
SCHEMBL6606146 0.80 CREBBP (0.33) CREBBPEP300
SCHEMBL6609038 0.80 SLC16A3 (0.34) CREBBPEP300
SCHEMBL6165821 0.78 HSD11B1 (0.33) CREBBPEP300
SCHEMBL6166837 0.78 MLLT3 (0.42) CREBBPEP300MAPK10MLLT3MLLT1
SCHEMBL6635699 0.77 CREBBP (0.35) CREBBPEP300
SCHEMBL6164801 0.77 CREBBP (0.44) CREBBPEP300MAPK10MLLT3MLLT1

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