SCHEMBL16416909

SCHEMBL16416909

CC#CCn1c(N(C)C)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.68
FAP Q12884 9/20 0.68
CHRM1 P11229 2/20 0.64
POU2F2 P09086 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
POU2F1 P14859 1/20 0.64
CHRM3 P20309 1/20 0.64
HRH2 P25021 1/20 0.64
MC4R P32245 1/20 0.64
DPP8 Q6V1X1 1/20 0.64
DPP9 Q86TI2 1/20 0.64
GHSR Q92847 1/20 0.64
KCNH2 Q12809 2/20 0.53

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
SCHEMBL1772436 0.90 DPP4 (0.63) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL17036591 0.89 DPP4 (0.72) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL196303 0.88 DPP4 (0.61) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL196304 0.88 DPP4 (0.61) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL29801450 0.88 DPP4 (0.61) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL4474769 0.88 DPP4 (0.61) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL29801431 0.88 DPP4 (0.61) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL196984 0.88 DPP4 (0.61) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL12264211 0.88 DPP4 (0.60) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL18343936 0.87 DPP4 (0.70) 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-2015011609-A1 PROCESS FOR THE PREPARATION OF LINAGLIPTIN AND AN INTERMEDIATE THEREOF RANBAXY LABORATORIES LIMITED (IN) 2015-01-29 WO disclosed
WO-2015011609-A1 PROCESS FOR THE PREPARATION OF LINAGLIPTIN AND AN INTERMEDIATE THEREOF RANBAXY LABORATORIES LIMITED (IN) 2015-01-29 WO disclosed