SCHEMBL16794573

SCHEMBL16794573

CC#CCN1c2c(n(C)c(=O)[nH]c2=O)N(Cc2nc(C)c3ccccc3n2)C1Br

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.46
FAP Q12884 7/20 0.46
KCNH2 Q12809 2/20 0.44
CHRM1 P11229 5/20 0.43
POU2F2 P09086 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
POU2F1 P14859 1/20 0.40
CHRM3 P20309 1/20 0.40
HRH2 P25021 1/20 0.40
MC4R P32245 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
GHSR Q92847 1/20 0.40

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
SCHEMBL160189 0.80 DPP4 (0.53) DPP4FAPKCNH2CHRM1POU2F2
SCHEMBL15516850 0.80 DPP4 (0.53) DPP4FAPKCNH2CHRM1POU2F2
SCHEMBL13738693 0.78 DPP4 (0.45) DPP4FAPKCNH2CHRM1POU2F2
SCHEMBL21703608 0.78 DPP4 (0.55) DPP4FAPKCNH2CHRM1POU2F2
SCHEMBL15533174 0.68 DPP4 (0.53) DPP4FAPKCNH2CHRM1POU2F2
SCHEMBL29350672 0.66 DPP4 (0.70) DPP4FAPKCNH2CHRM1POU2F2
SCHEMBL3919837 0.66 DPP4 (0.70) DPP4FAPKCNH2CHRM1POU2F2
SCHEMBL17036591 0.66 DPP4 (0.72) DPP4FAPKCNH2CHRM1POU2F2
SCHEMBL29877714 0.66 DPP4 (0.40) DPP4FAPKCNH2CHRM1POU2F2
SCHEMBL24742863 0.65 DPP4 (0.50) DPP4FAPKCNH2CHRM1POU2F2

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-2015087240-A1 PROCESS FOR THE PREPARATION OF LINAGLIPTIN AND AN INTERMEDIATE THEREOF RANBAXY LABORATORIES LIMITED (IN) 2015-06-18 WO claimed
WO-2015087240-A1 PROCESS FOR THE PREPARATION OF LINAGLIPTIN AND AN INTERMEDIATE THEREOF RANBAXY LABORATORIES LIMITED (IN) 2015-06-18 WO disclosed