SCHEMBL6582491

SCHEMBL6582491

NC(=O)[C@@H]1CCCN1C(=O)C(Br)Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.41
REN P00797 4/20 0.41
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.41
PEPD P12955 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.41
HRH1 P35367 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39

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
SCHEMBL6582494 1.00 ACE (0.41) ACERENKDM4EF2LMNA
SCHEMBL10311685 0.81 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL28878378 0.81 ACE (0.41) ACERENKDM4EF2LMNA
SCHEMBL5950374 0.81 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL10311710 0.81 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL29091406 0.81 ACE (0.41) ACERENKDM4EF2LMNA
SCHEMBL2031883 0.80 DPP4 (0.58) ACERENKDM4EF2LMNA
SCHEMBL7300736 0.80 DPP4 (0.58) ACERENKDM4EF2LMNA
SCHEMBL7994236 0.80 DPP4 (0.58) ACERENKDM4EF2LMNA
SCHEMBL22673059 0.80 DPP4 (0.58) ACERENKDM4EF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937040-B1 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 2004-07-21 EP disclosed
US-6124305-A TREATING NON-INSULIN DEPENDENT DIABETES MELLITUS NOVARTIS AG (CH) 2000-09-26 US disclosed
US-6011155-A N-(substituted glycyl)-2-cyanopyrrolidines, pharmaceutical compositions containing them and their use in inhibiting dipeptidyl peptidase-IV NOVARTIS AG (CH) 2000-01-04 US disclosed
EP-0937040-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES Novartis AG (CH) 1999-08-25 EP disclosed
WO-1998019998-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 1998-05-14 WO disclosed