SCHEMBL5503749

SCHEMBL5503749

CNC[C@H](CC1CCCCC1)NC(=NC#N)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
REN P00797 18/20 0.38
CTSK P43235 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
SCHEMBL5509449 0.77 MEN1 (0.43) MEN1KMT2AREN
SCHEMBL5503829 0.77 REN (0.52) REN
SCHEMBL5509831 0.77 REN (0.52) REN
SCHEMBL1865703 0.77 REN (0.52) REN
SCHEMBL1866281 0.77 REN (0.52) REN
SCHEMBL5505418 0.77 MEN1 (0.43) MEN1KMT2AREN
SCHEMBL5505794 0.77 REN (0.52) REN
SCHEMBL5503748 0.71 DPP4 (0.39) MEN1KMT2A
SCHEMBL1860871 0.71 DPP4 (0.52) REN
SCHEMBL1860867 0.71 DPP4 (0.52) REN

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-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed