SCHEMBL7977951

SCHEMBL7977951

COc1cc2c(cc1OC)CC(C(=O)N1CCCC1C#N)NC2

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.76
DPP8 Q6V1X1 1/20 0.48
DPP7 Q9UHL4 1/20 0.48

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
SCHEMBL7977949 1.00 DPP4 (0.76) DPP4DPP8DPP7
SCHEMBL15827030 0.86 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL14392405 0.86 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL7989076 0.81 DPP4 (0.74) DPP4DPP8
SCHEMBL7989074 0.81 DPP4 (0.74) DPP4DPP8
SCHEMBL7989794 0.81 DPP4 (0.74) DPP4DPP8
Trifluoroacetic Acid SCHEMBL7989205 0.81 DPP4 (0.88) DPP4DPP8DPP7
SCHEMBL7995561 0.81 DPP4 (0.70) DPP4DPP8
SCHEMBL7995565 0.81 DPP4 (0.70) DPP4DPP8
Hydrochloric Acid SCHEMBL5205359 0.80 DPP4 (0.51) DPP4DPP8DPP7

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