SCHEMBL7989090

SCHEMBL7989090

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

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.76
PREP P48147 1/20 0.47
HDAC8 Q9BY41 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7989092 1.00 DPP4 (0.76) DPP4PREPHDAC8ALOX15TSHR
SCHEMBL7989871 0.92 DPP4 (0.75) DPP4PREPHDAC8
SCHEMBL7989872 0.92 DPP4 (0.75) DPP4PREPHDAC8
SCHEMBL7989181 0.88 DPP4 (0.72) DPP4PREP
SCHEMBL7992389 0.88 DPP4 (0.78) DPP4
SCHEMBL14392405 0.86 DPP4 (1.00) DPP4PREP
SCHEMBL15827030 0.86 DPP4 (1.00) DPP4PREP
SCHEMBL7992099 0.85 DPP4 (0.73) DPP4
SCHEMBL7992095 0.85 DPP4 (0.73) DPP4
Trifluoroacetic Acid SCHEMBL7978160 0.84 DPP4 (0.69) DPP4PREP

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