SCHEMBL8336562

SCHEMBL8336562

N[C@@H](CC(=O)N1CCn2cc(C(=O)N3CCOCC3)nc2C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.61
▸ DPP8 Q6V1X1 8/20 0.60
▸ DPP9 Q86TI2 8/20 0.58
▸ DPP7 Q9UHL4 3/20 0.55
▸ ACE P12821 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ FAP Q12884 1/20 0.54

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
SCHEMBL8335584 0.91 DPP4 (0.56) DPP4DPP8DPP9DPP7
SCHEMBL5497175 0.84 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL8325488 0.83 DPP4 (0.70) DPP4DPP8DPP9DPP7ACE
SCHEMBL12767539 0.82 DPP4 (0.68) DPP4DPP8DPP9DPP7ACE
SCHEMBL8243586 0.81 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
SCHEMBL1071529 0.81 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
SCHEMBL21985108 0.80 DPP4 (0.68) DPP4DPP9DPP7
SCHEMBL21985104 0.80 DPP4 (0.68) DPP4DPP9DPP7
SCHEMBL29142108 0.80 DPP4 (0.68) DPP4DPP9DPP7
SCHEMBL10258166 0.79 DPP4 (0.67) 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
Send feedback