SCHEMBL21102001

SCHEMBL21102001

CC(=N)N1CCC[C@@H]1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.39
ACE P12821 3/20 0.39
REN P00797 2/20 0.39
SPHK1 Q9NYA1 5/20 0.37
SPHK2 Q9NRA0 3/20 0.37
F2 P00734 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL642427 0.84 F2 (0.44) DPP4F2
SCHEMBL606217 0.84 F2 (0.44) DPP4F2
SCHEMBL28128812 0.84 DPP4 (0.40) DPP4ACESPHK1SPHK2CA12
SCHEMBL608859 0.84 F2 (0.44) DPP4F2
SCHEMBL14621778 0.84 ACE (0.41) ACERENF2CA12CA1
SCHEMBL8297626 0.82 ACE (0.56) ACERENF2
Hydrochloric Acid SCHEMBL28488246 0.82 SPHK1 (0.39) DPP4SPHK1SPHK2CA12CA1
SCHEMBL13435754 0.81 DPP4 (0.39) DPP4ACERENCA12CA1
SCHEMBL8591233 0.79 HTT (0.45) DPP4ACESPHK1SPHK2CA12
SCHEMBL3817074 0.79 HTT (0.45) DPP4ACESPHK1SPHK2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019111225-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS AVALIV THERAPEUTICS (US) 2019-06-13 WO disclosed