SCHEMBL7989871

SCHEMBL7989871

N#C[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccc(OCC(N)=O)cc2CN1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.75
PREP P48147 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43

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
SCHEMBL7989872 1.00 DPP4 (0.75) DPP4PREPHDAC8FAPDPP8
SCHEMBL7989090 0.92 DPP4 (0.76) DPP4PREPHDAC8
SCHEMBL7989092 0.92 DPP4 (0.76) DPP4PREPHDAC8
SCHEMBL7992389 0.87 DPP4 (0.78) DPP4FAP
SCHEMBL15827030 0.85 DPP4 (1.00) DPP4PREPFAPDPP8
SCHEMBL14392405 0.85 DPP4 (1.00) DPP4PREPFAPDPP8
SCHEMBL7989181 0.85 DPP4 (0.72) DPP4PREP
SCHEMBL7992099 0.84 DPP4 (0.73) DPP4FAP
SCHEMBL7992095 0.84 DPP4 (0.73) DPP4FAP
Hydrochloric Acid SCHEMBL5202175 0.83 DPP4 (0.51) DPP4HDAC8FAPDPP8

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
US-6172081-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS; NON-INSULIN DEPENDENT DIABETES NOVARTIS AG (CH) 2001-01-09 US disclosed