SCHEMBL8334998

SCHEMBL8334998

CC(C)Nc1c(C2CC2)nc2n1CCN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.64
▸ DPP8 Q6V1X1 10/20 0.64
▸ DPP9 Q86TI2 3/20 0.58
▸ DPP7 Q9UHL4 3/20 0.58
▸ ACE P12821 1/20 0.58
▸ HTR2A P28223 1/20 0.58
▸ FAP Q12884 1/20 0.58

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
SCHEMBL5487180 0.87 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
SCHEMBL5935884 0.86 DPP4 (0.70) DPP4DPP8DPP9DPP7ACE
SCHEMBL5230936 0.76 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
SCHEMBL8324895 0.76 DPP4 (0.61) DPP4DPP8DPP9DPP7ACE
SCHEMBL6853393 0.75 DPP4 (0.78) DPP4DPP8DPP9DPP7ACE
SCHEMBL7902672 0.75 DPP4 (0.78) DPP4DPP8DPP9DPP7ACE
SCHEMBL14267898 0.75 DPP4 (0.78) DPP4DPP8DPP9DPP7ACE
SCHEMBL5495778 0.75 DPP4 (0.71) DPP4DPP8DPP9DPP7ACE
SCHEMBL1050284 0.74 KCNH2 (0.70) DPP4DPP8DPP9DPP7ACE
SCHEMBL8332960 0.74 DPP4 (0.65) DPP4DPP8DPP9DPP7ACE

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-2004058266-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-07-15 — — WO disclosed
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