SCHEMBL8333784

SCHEMBL8333784

CN[C@@H](CC(=O)N1CCn2c(nc(C(F)(F)F)c2Cl)C1)Cc1cc(F)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.54
▸ DPP8 Q6V1X1 17/20 0.54
▸ DPP9 Q86TI2 6/20 0.49
▸ P2RX7 Q99572 1/20 0.48
▸ DPP7 Q9UHL4 8/20 0.47

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
SCHEMBL8334481 0.78 DPP4 (0.71) DPP4DPP8DPP9DPP7
SCHEMBL8335637 0.78 DPP4 (0.49) DPP4DPP8DPP9DPP7
SCHEMBL5935823 0.78 DPP4 (0.47) DPP4DPP8DPP9DPP7
SCHEMBL5487304 0.75 DPP4 (0.67) DPP4DPP8DPP9DPP7
SCHEMBL8335635 0.74 DPP4 (0.67) DPP4DPP8DPP9DPP7
SCHEMBL4736463 0.74 DPP4 (0.75) DPP4DPP8DPP9DPP7
SCHEMBL12862439 0.74 DPP4 (0.75) DPP4DPP8DPP9DPP7
SCHEMBL25842321 0.74 DPP4 (0.76) DPP4DPP8DPP9DPP7
SCHEMBL14687898 0.73 DPP4 (0.68) DPP4DPP8DPP9DPP7
SCHEMBL1509250 0.73 DPP4 (0.68) DPP4DPP8DPP9DPP7

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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