SCHEMBL8554517

SCHEMBL8554517

O=C1NC(=O)C(Cc2ccc(Cl)cc2)(N2CCC(O)CC2)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.40
ADAM17 P78536 1/20 0.39
KMT2A Q03164 2/20 0.38
DPP7 Q9UHL4 1/20 0.37
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
MEN1 O00255 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
POLB P06746 1/20 0.34
SSTR1 P30872 1/20 0.34
SSTR4 P31391 1/20 0.34
CCR5 P51681 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
CYP51A1 Q16850 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
SCHEMBL8550165 0.86 MMP8 (0.45) MMP3MMP8MMP2MMP9
SCHEMBL8550819 0.84 MMP2 (0.45) MMP8MMP2MMP9
SCHEMBL8551231 0.77 MMP3 (0.52) HSD11B1MMP3MMP8MMP2MMP9
SCHEMBL4141085 0.67 ALDH1A1 (0.60) KMT2AMEN1POLBCCR5
SCHEMBL27491360 0.65 MMP8 (0.69) MMP3MMP8MMP2MMP9
SCHEMBL14413543 0.64 DPP7 (0.57) KMT2ADPP7MEN1
SCHEMBL8550568 0.63 MMP3 (0.52) MMP3MMP8MMP2MMP9
SCHEMBL6799712 0.61 L3MBTL1 (0.55) KMT2ACCR5
SCHEMBL6799707 0.61 L3MBTL1 (0.55) KMT2ACCR5
SCHEMBL17117228 0.60 DPP7 (0.50) KMT2ADPP7

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-0869947-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-10-14 EP disclosed
WO-1997023465-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-07-03 WO disclosed