SCHEMBL7988645

SCHEMBL7988645

CCN(CC)CCCOc1ccc2c(c1)CN[C@H](C(=O)N1CCC[C@H]1C#N)C2

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.70
HRH3 Q9Y5N1 1/20 0.45
FAP Q12884 1/20 0.41

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
SCHEMBL7992389 0.90 DPP4 (0.78) DPP4FAP
SCHEMBL7992099 0.86 DPP4 (0.73) DPP4FAP
SCHEMBL7992095 0.86 DPP4 (0.73) DPP4FAP
Trifluoroacetic Acid SCHEMBL7978160 0.84 DPP4 (0.69) DPP4FAP
SCHEMBL7989090 0.83 DPP4 (0.76) DPP4
SCHEMBL7989092 0.83 DPP4 (0.76) DPP4
SCHEMBL15827030 0.83 DPP4 (1.00) DPP4FAP
SCHEMBL14392405 0.83 DPP4 (1.00) DPP4FAP
SCHEMBL7989871 0.83 DPP4 (0.75) DPP4FAP
SCHEMBL7989872 0.83 DPP4 (0.75) DPP4FAP

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