SCHEMBL4786986

SCHEMBL4786986

O=C(O)N1CCC[C@H]1c1nc(N2CCCCC2)no1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.53
DPP8 Q6V1X1 2/20 0.53
DPP9 Q86TI2 2/20 0.53
DPP7 Q9UHL4 2/20 0.53
GRM5 P41594 18/20 0.43

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
SCHEMBL5569867 0.96 DPP4 (0.51) DPP4DPP8DPP9DPP7GRM5
SCHEMBL4740069 0.77 DPP4 (0.49) DPP4DPP8DPP9DPP7GRM5
SCHEMBL4784332 0.76 CPT1A (0.51) DPP4DPP8DPP9DPP7GRM5
SCHEMBL5569872 0.74 DPP4 (0.45) DPP4DPP8DPP9DPP7GRM5
SCHEMBL5569869 0.74 DPP4 (0.45) DPP4DPP8DPP9DPP7GRM5
Trifluoroacetic Acid SCHEMBL19974984 0.71 DPP4 (0.43) DPP4DPP8DPP9DPP7GRM5
Trifluoroacetic Acid SCHEMBL19974982 0.71 DPP4 (0.43) DPP4DPP8DPP9DPP7GRM5
SCHEMBL2050644 0.71 GRM5 (0.61) GRM5
SCHEMBL8274501 0.70 DPP4 (1.00) DPP4DPP8DPP9DPP7
SCHEMBL17654626 0.70 NR1H4 (0.60) GRM5

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-2008093960-A1 NOVEL DIPEPTIDYL PEPTIDASE-IV INHIBITORS LG LIFE SCIENCES, LTD. (KR) 2008-08-07 WO disclosed