SCHEMBL8091239

SCHEMBL8091239

CC1CCC(CC[C@H](N)C(=O)N2CC(F)C2)N1C(=O)c1ccncc1F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.35
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
JAK1 P23458 1/20 0.33
DPP7 Q9UHL4 4/20 0.32
CNR2 P34972 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CPS1 P31327 5/20 0.31
CYP46A1 Q9Y6A2 1/20 0.31
PDE10A Q9Y233 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
RIPK1 Q13546 1/20 0.31

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
SCHEMBL8080941 0.82 POLB (0.36) PREPFAP
SCHEMBL8093405 0.75 DPP4 (0.43) DPP4PREPFAPDPP7CNR2
Trifluoroacetic Acid SCHEMBL3741707 0.70 DPP4 (0.41) DPP4DPP7DPP8
SCHEMBL8088188 0.70 CPS1 (0.34) DPP4HCRTR1CPS1DPP8
SCHEMBL30333846 0.69 POLB (0.45) DPP4PREPFAPJAK1DPP7
SCHEMBL3738668 0.66 PREP (0.37) PREPFAPJAK1HCRTR1HCRTR2
SCHEMBL15401836 0.64 KDM4E (0.51) HCRTR1HCRTR2PDE10A
SCHEMBL8089769 0.64 DPP4 (0.44) DPP4DPP7DPP8
SCHEMBL30009295 0.63 JAK1 (0.43) PREPFAPJAK1CNR2CPS1
SCHEMBL8086528 0.62 DPP4 (0.60) DPP4FAPDPP7DPP8

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-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 WO disclosed