SCHEMBL15533388

SCHEMBL15533388

CC#CCN1c2c(n(C)c(=O)[nH]c2=O)N(Cc2ccccc2C#N)C1N1CCC[C@@H](N)C1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.47
OPRM1 P35372 1/20 0.44
OPRK1 P41145 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
SCHEMBL15533861 0.88 DPP4 (0.43) DPP4
SCHEMBL20528287 0.86 DPP4 (0.51) DPP4OPRM1OPRK1
SCHEMBL15533200 0.85 DPP4 (0.42) DPP4
SCHEMBL15516850 0.81 DPP4 (0.53) DPP4
SCHEMBL15533174 0.81 DPP4 (0.53) DPP4
SCHEMBL160189 0.81 DPP4 (0.53) DPP4
SCHEMBL15091721 0.78 DPP4 (0.34) DPP4
SCHEMBL5335575 0.74 DPP4 (0.45) DPP4OPRM1OPRK1
SCHEMBL28346851 0.72 CYP2D6 (0.39) DPP4
SCHEMBL28018613 0.72 DPP4 (0.36) DPP4OPRM1OPRK1

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
EP-2854824-A1 USE OF KERATINOCYTES AS A BIOLOGICALLY ACTIVE SUBSTANCE IN THE TREATMENT OF WOUNDS, SUCH AS DIABETIC WOUNDS, OPTIONALLY IN COMBINATION WITH A DPP-4 INHIBITOR Boehringer Ingelheim International GmbH (DE) 2015-04-08 EP disclosed
WO-2013174769-A1 USE OF KERATINOCYTES AS A BIOLOGICALLY ACTIVE SUBSTANCE IN THE TREATMENT OF WOUNDS, SUCH AS DIABETIC WOUNDS, OPTIONALLY IN COMBINATION WITH A DPP-4 INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-28 WO disclosed