SCHEMBL5503748

SCHEMBL5503748

CNC[C@H](CC1CCCCC1)NC(=N)N1CCCCC1C#N

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP7 Q9UHL4 3/20 0.37
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 2/20 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
SCHEMBL1860867 0.86 DPP4 (0.52) DPP4DPP7DPP8DPP9
SCHEMBL1860871 0.86 DPP4 (0.52) DPP4DPP7DPP8DPP9
SCHEMBL5503749 0.71 MEN1 (0.39) MEN1KMT2A
SCHEMBL1866281 0.70 REN (0.52)
SCHEMBL5509831 0.70 REN (0.52)
SCHEMBL5505418 0.70 MEN1 (0.43) MEN1KMT2A
SCHEMBL1865703 0.70 REN (0.52)
SCHEMBL5505794 0.70 REN (0.52)
SCHEMBL5503829 0.70 REN (0.52)
SCHEMBL5509449 0.70 MEN1 (0.43) 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-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