SCHEMBL12862005

SCHEMBL12862005

Bc1nc2c(c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)n2C)n1CC#CC

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.70
FAP Q12884 10/20 0.70
CHRM1 P11229 2/20 0.65
POU2F2 P09086 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
POU2F1 P14859 1/20 0.65
CHRM3 P20309 1/20 0.65
HRH2 P25021 1/20 0.65
MC4R P32245 1/20 0.65
DPP8 Q6V1X1 1/20 0.65
DPP9 Q86TI2 1/20 0.65
GHSR Q92847 1/20 0.65
KCNH2 Q12809 2/20 0.54

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
SCHEMBL17036591 0.90 DPP4 (0.72) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL3919837 0.89 DPP4 (0.70) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL18344002 0.89 DPP4 (0.70) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL29350672 0.89 DPP4 (0.70) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL18343936 0.89 DPP4 (0.70) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL8266601 0.88 DPP4 (0.57) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL16416909 0.87 DPP4 (0.68) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL29456463 0.84 DPP4 (0.64) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL20296912 0.84 DPP4 (0.64) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL15083818 0.84 DPP4 (0.85) DPP4FAPCHRM1POU2F2ADORA3

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-2014097314-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN MYLAN LABORATORIES LTD (IN) 2014-06-26 WO disclosed
EP-2287164-A1 Process for the manufacture of chiral 8-(3-aminopiperidin-1-yl)-xanthines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-23 EP disclosed