SCHEMBL14830541

SCHEMBL14830541

N#Cc1ccccc1Cn1c(=O)cc(Cl)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 11/20 0.55
GRIN2B Q13224 11/20 0.55
KMT2A Q03164 1/20 0.50
DPP4 P27487 6/20 0.49
NOX4 Q9NPH5 1/20 0.47
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL16845921 0.85 DPP4 (0.51) GRIN1GRIN2BDPP4NOX4OPRM1
SCHEMBL390246 0.82 DPP4 (0.56) GRIN1GRIN2BKMT2ADPP4NOX4
SCHEMBL8217921 0.79 DPP4 (0.54) GRIN1GRIN2BKMT2ADPP4NOX4
SCHEMBL30643894 0.78 GRIN1 (0.61) GRIN1GRIN2BDPP4NOX4OPRM1
SCHEMBL7750746 0.77 NOX4 (0.49) GRIN1GRIN2BKMT2ADPP4NOX4
SCHEMBL319866 0.77 KMT2A (0.73) KMT2A
SCHEMBL13591663 0.77 DPP4 (0.56) GRIN1GRIN2BKMT2ADPP4NOX4
SCHEMBL5968432 0.75 NOX4 (0.47) GRIN1GRIN2BKMT2ADPP4NOX4
SCHEMBL8216924 0.75 DPP4 (0.64) GRIN1GRIN2BKMT2ADPP4NOX4
SCHEMBL389683 0.73 DPP4 (0.57) GRIN1GRIN2BKMT2ADPP4NOX4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015092807-A1 A NOVEL PROCESS FOR PREPARATION OF ALOGLIPTIN BENZOATE HARMAN FINOCHEM LIMITED (IN) 2015-06-25 WO claimed
WO-2015092807-A1 A NOVEL PROCESS FOR PREPARATION OF ALOGLIPTIN BENZOATE HARMAN FINOCHEM LIMITED (IN) 2015-06-25 WO disclosed
EP-2760853-A1 NOVEL SALTS OF ALOGLIPTIN Hetero Research Foundation (IN) 2014-08-06 EP disclosed
WO-2013046229-A1 NOVEL SALTS OF ALOGLIPTIN HETERO RESEARCH FOUNDATION (IN) 2013-04-04 WO disclosed