SCHEMBL8086359

SCHEMBL8086359

CC1[C@@H](C)C[C@@H](C#N)N1C(=O)[C@@H](N)C1CC2CCC(C1)N2C(=O)c1ccnc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.41
KDM1A O60341 7/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
MGLL Q99685 1/20 0.35

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
SCHEMBL13045326 0.86 DPP4 (0.56) DPP4
SCHEMBL8092647 0.85 DPP4 (0.51) DPP4KDM1AMGLL
SCHEMBL13045331 0.85 DPP4 (0.51) DPP4KDM1AMGLL
Trifluoroacetic Acid SCHEMBL3742822 0.82 DPP4 (0.55) DPP4
Trifluoroacetic Acid SCHEMBL3742854 0.82 DPP4 (0.55) DPP4
Trifluoroacetic Acid SCHEMBL3745725 0.82 DPP4 (0.55) DPP4
Trifluoroacetic Acid SCHEMBL3740209 0.82 DPP4 (0.55) DPP4
Trifluoroacetic Acid SCHEMBL3741051 0.80 DPP4 (0.46) DPP4KDM1AMGLL
Trifluoroacetic Acid SCHEMBL3742559 0.79 DPP4 (0.45) DPP4
SCHEMBL14300764 0.77 DPP4 (0.38) DPP4KDM1AMGLL

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