SCHEMBL4728883

SCHEMBL4728883

N#Cc1cccnc1Nc1ccc(Oc2ccc(C[C@H](N)C(=O)N3CCC[C@H]3C#N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.61
DPP8 Q6V1X1 13/20 0.61
DPP9 Q86TI2 13/20 0.61
DPP7 Q9UHL4 12/20 0.61
FAP Q12884 10/20 0.61

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
SCHEMBL4728888 1.00 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL8211298 1.00 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL4726746 0.88 DPP4 (0.60) DPP4DPP8DPP9DPP7FAP
SCHEMBL4726747 0.88 DPP4 (0.60) DPP4DPP8DPP9DPP7FAP
SCHEMBL4725994 0.86 DPP4 (0.64) DPP4DPP8DPP9DPP7FAP
SCHEMBL4725996 0.86 DPP4 (0.64) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL4085749 0.81 HPGD (0.53)
SCHEMBL13912368 0.80 HPGD (0.55)
SCHEMBL5141299 0.79 DPP4 (0.59) DPP4DPP8DPP9DPP7FAP
SCHEMBL5141298 0.79 DPP4 (0.59) DPP4DPP8DPP9DPP7FAP

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
WO-2008029217-A2 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-03-13 WO claimed
WO-2008029217-A2 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-03-13 WO disclosed