SCHEMBL15533200

SCHEMBL15533200

CC#CCN1c2c(n(C)c(=O)[nH]c2=O)N(Cc2nc3ccccc3cc2C#N)C1N1CCC[C@@H](N)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.42
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 1/20 0.40
CHRM1 P11229 2/20 0.39
POU2F2 P09086 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
POU2F1 P14859 1/20 0.37
CHRM3 P20309 1/20 0.37
HRH2 P25021 1/20 0.37
MC4R P32245 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
GHSR Q92847 1/20 0.37

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 0.86 DPP4 (0.43) DPP4KCNH2
SCHEMBL15533388 0.85 DPP4 (0.47) DPP4
SCHEMBL15533174 0.85 DPP4 (0.53) DPP4KCNH2CYP3A4CHRM1POU2F2
SCHEMBL15516850 0.82 DPP4 (0.53) DPP4KCNH2CHRM1POU2F2ADORA3
SCHEMBL160189 0.82 DPP4 (0.53) DPP4KCNH2CHRM1POU2F2ADORA3
SCHEMBL15091721 0.73 DPP4 (0.34) DPP4
SCHEMBL12047551 0.72 DPP4 (0.76) DPP4KCNH2CHRM1FAP
SCHEMBL20528287 0.72 DPP4 (0.51) DPP4
SCHEMBL13738693 0.72 DPP4 (0.45) DPP4KCNH2CHRM1POU2F2ADORA3
SCHEMBL195761 0.71 DPP4 (0.74) DPP4CHRM1POU2F2ADORA3POU2F1

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