SCHEMBL6681845

SCHEMBL6681845

CC(C)(C)OC(=O)N(CC(=O)O)C1Cc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
NPY5R Q15761 2/20 0.39
DRD3 P35462 1/20 0.37
CCR5 P51681 1/20 0.37
BCHE P06276 1/20 0.36
AHCY P23526 4/20 0.36
EPHX2 P34913 1/20 0.36
NAMPT P43490 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 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
SCHEMBL5217289 0.81 HSD11B1 (0.42) HSD11B1CCR5
SCHEMBL8725635 0.80 DRD3 (0.42) NPY5RDRD3AHCY
SCHEMBL361549 0.80
SCHEMBL3938891 0.79 MAOA (0.40)
Hydrochloric Acid SCHEMBL3021166 0.79
SCHEMBL9543829 0.78 NPY5R (0.42) NPY5R
SCHEMBL9543826 0.78 NPY5R (0.42) NPY5R
SCHEMBL1787496 0.78 HSD11B1 (0.45) HSD11B1
SCHEMBL17572142 0.78 CCR5 (0.36) HSD11B1DRD3CCR5AHCYNAMPT
SCHEMBL17560196 0.78 CCR5 (0.36) HSD11B1DRD3CCR5AHCYNAMPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813544-B1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH INC (US) 2004-10-27 EP disclosed
WO-2000058346-A1 N-SULFONYL-DIPEPTIDE DERIVATIVES, PRODUCTION AND USE THEREOF IN THERAPY SANOFI-SYNTHELABO (FR) 2000-10-05 WO disclosed
EP-0813544-A4 1998-01-07 EP disclosed
EP-0813544-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1997-12-29 EP disclosed
US-5700779-A ALLEVIATING PAIN, ASTHMA, INFLAMMATION, CEREBRAL EDEMA, CARDIOVASCULAR DYSFUNCTION CORTECH, INC. (US) 1997-12-23 US disclosed
WO-1995024422-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1995-09-14 WO disclosed