SCHEMBL2588754

SCHEMBL2588754

CC(C)(C)OC(=O)N1C(C2(O)CCNCC2)=C(Cl)C=CC1Cl

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD2 P14416 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
SCHEMBL2590851 0.77 DRD2 (0.32) MEN1KMT2ADRD2
SCHEMBL25345627 0.65
SCHEMBL2590853 0.64 MEN1 (0.34) MEN1KMT2A
SCHEMBL21983574 0.62 JAK3 (0.37)
SCHEMBL17113434 0.60 CTSD (0.31)
SCHEMBL17113435 0.60 CTSD (0.31)
SCHEMBL18729442 0.60 CTSD (0.31)
SCHEMBL484569 0.59 ACACB (0.43)
SCHEMBL28901649 0.59 HPGD (0.47)
SCHEMBL31504027 0.58 CHRM2 (0.46) MEN1KMT2A

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-2563780-A1 3, 3 -DISUBSTITUTED- ( 8 - AZA - BICYCLO [3.2.1]OCT- 8 - YL) -[5- (1H - PYRAZOL - 4 -YL) -THIOPHEN-3 -YL]METHANONES AS INHIBITORS OF 11 (BETA) -HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2013-03-06 EP disclosed
WO-2011135276-A1 3, 3 -DISUBSTITUTED- ( 8 - AZA - BICYCLO [3.2.1] OCT- 8 - YL) -[5- (1H - PYRAZOL - 4 -YL) -THIOPHEN-3 -YL] METHANONES AS INHIBITORS OF 11 (BETA) -HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2011-11-03 WO disclosed