SCHEMBL13435754

SCHEMBL13435754

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.39
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
VNN1 O95497 1/20 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
DPP7 Q9UHL4 5/20 0.36
FAP Q12884 3/20 0.36
DPP8 Q6V1X1 3/20 0.36
PREP P48147 2/20 0.36
DPP9 Q86TI2 2/20 0.36
PITRM1 Q5JRX3 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
REN P00797 1/20 0.36
ACE P12821 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL12584819 0.84 POLB (0.39) POLBL3MBTL1CA12CA1CA2
SCHEMBL642427 0.84 F2 (0.44) DPP4
SCHEMBL608859 0.84 F2 (0.44) DPP4
SCHEMBL606217 0.84 F2 (0.44) DPP4
SCHEMBL21102001 0.81 DPP4 (0.39) DPP4CA12CA1CA2CA9
SCHEMBL425457 0.80 DPP4 (0.40) DPP4VNN1CA12CA1CA2
SCHEMBL3817074 0.79 HTT (0.45) DPP4CA12CA1CA2CA9
SCHEMBL22296753 0.79 POLB (0.33) POLBL3MBTL1CA12CA1CA2
SCHEMBL8591233 0.79 HTT (0.45) DPP4CA12CA1CA2CA9
SCHEMBL30305372 0.79 HTT (0.45) DPP4CA12CA1CA2CA9

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
EP-2177523-A1 Novel macrocyclic inhibitors of hepatitis c virus replication Intermune, Inc. (US) 2010-04-21 EP disclosed