SCHEMBL5230936

SCHEMBL5230936

N[C@@H](CC(=O)N1CCn2nc(C3CC3)nc2C1)Cc1cc(F)c(F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 1.00
▸ DPP8 Q6V1X1 9/20 0.72
▸ DPP7 Q9UHL4 4/20 0.72
▸ DPP9 Q86TI2 2/20 0.57
▸ ACE P12821 1/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ FAP Q12884 1/20 0.57
▸ PREP P48147 1/20 0.55

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
SCHEMBL5228197 0.83 DPP4 (1.00) DPP4DPP8DPP7DPP9ACE
Hydrochloric Acid SCHEMBL1842316 0.83 DPP4 (0.98) DPP4DPP8DPP7DPP9ACE
SCHEMBL5935884 0.80 DPP4 (0.70) DPP4DPP8DPP7DPP9ACE
SCHEMBL8325488 0.76 DPP4 (0.70) DPP4DPP8DPP7DPP9ACE
SCHEMBL8334998 0.76 DPP4 (0.64) DPP4DPP8DPP7DPP9ACE
SCHEMBL5497175 0.76 DPP4 (0.63) DPP4DPP8DPP7DPP9ACE
SCHEMBL12767539 0.75 DPP4 (0.68) DPP4DPP8DPP7DPP9ACE
SCHEMBL3389526 0.75 DPP4 (0.71) DPP4DPP8DPP7DPP9ACE
SCHEMBL20781026 0.75 DPP4 (1.00) DPP4DPP8DPP7DPP9ACE
SCHEMBL1509241 0.75 DPP4 (0.71) DPP4DPP8DPP7DPP9ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390809-B2 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for diabetes MERCK & CO., INC. (US) 2008-06-24 — — US disclosed
EP-1554280-B1 ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO INC (US) 2007-08-15 — — EP disclosed
EP-1554280-B1 ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO INC (US) 2007-08-15 — — EP disclosed
WO-2004032836-A2 ANTIDIABETIC BETA-AMINO HETEROCYLCIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO., INC. (US) 2004-04-22 — — WO disclosed
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