SCHEMBL6622927

SCHEMBL6622927

O=C(O)CC(=O)c1cccc(-n2nncc2COC2CCCCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.42
EP300 Q09472 1/20 0.39
CREBBP Q92793 1/20 0.39
PLOD2 O00469 1/20 0.37
PLOD3 O60568 1/20 0.37
PLOD1 Q02809 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6622656 0.91 HSD11B1 (0.45) HSD11B1MEN1KMT2A
SCHEMBL6165357 0.90 HSD11B1 (0.40) HSD11B1EP300CREBBPPLOD2PLOD3
SCHEMBL6167484 0.88 HSD11B1 (0.43) HSD11B1EP300CREBBP
SCHEMBL6167137 0.81 HSD11B1 (0.42) HSD11B1MEN1KMT2A
SCHEMBL6608114 0.81 NPY2R (0.35) HSD11B1EP300CREBBPPLOD2PLOD3
SCHEMBL6622375 0.81 CREBBP (0.35) HSD11B1EP300CREBBPPLOD2PLOD3
SCHEMBL6609350 0.81 HSD11B1 (0.36) HSD11B1EP300CREBBP
SCHEMBL6624529 0.80 NPY2R (0.35) HSD11B1EP300CREBBPPLOD2PLOD3
SCHEMBL6611947 0.80 MLLT3 (0.45) HSD11B1EP300CREBBPPLOD2PLOD3
SCHEMBL6622826 0.80 EP300 (0.33) HSD11B1EP300CREBBPPLOD2PLOD3

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