SCHEMBL16280694

SCHEMBL16280694

Cn1c2nccc-2c(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2F)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00

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
SCHEMBL12687222 0.90 DPP4 (1.00) DPP4
SCHEMBL16280703 0.87 DPP4 (1.00) DPP4
SCHEMBL12518745 0.81 DPP4 (0.81) DPP4
SCHEMBL13719785 0.81 DPP4 (0.81) DPP4
SCHEMBL16280705 0.81 DPP4 (1.00) DPP4
SCHEMBL16280699 0.77 DPP4 (1.00) DPP4
SCHEMBL12687228 0.77 DPP4 (1.00) DPP4
Trifluoroacetic Acid SCHEMBL13719367 0.76 DPP4 (0.71) DPP4
SCHEMBL4667791 0.74 DPP4 (0.69) DPP4
SCHEMBL16280700 0.74 DPP4 (1.00) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2680851-B1 FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME (US) 2016-08-17 EP disclosed
US-8907086-B2 Fused bicyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME CORP. (US) 2014-12-09 US disclosed
US-8907086-B2 Fused bicyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME CORP. (US) 2014-12-09 US disclosed