SCHEMBL6533454

SCHEMBL6533454

Cc1nnc(C(=O)C2C[C@H](F)CN2CCNC(C)(C)Cc2ccc(F)cc2)o1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.59
DPP8 Q6V1X1 9/20 0.59
DPP7 Q9UHL4 9/20 0.59
KCNE1 P15382 1/20 0.37
CCR1 P32246 1/20 0.37
KCNQ1 P51787 1/20 0.37
MAOB P27338 2/20 0.37
VNN1 O95497 1/20 0.33
MAOA P21397 1/20 0.33
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
TRPA1 O75762 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6529969 0.76 DPP4 (0.60) DPP4DPP8DPP7VNN1
SCHEMBL6530262 0.69 DPP4 (0.45) DPP4DPP8DPP7
SCHEMBL6529971 0.65 DPP4 (0.75) DPP4DPP8DPP7
SCHEMBL6530127 0.64 DPP4 (0.56) DPP4DPP8DPP7POLB
SCHEMBL6529684 0.64 DPP4 (0.70) DPP4DPP8DPP7
SCHEMBL9718295 0.58 KDM4E (0.57) DPP4
SCHEMBL6529810 0.58 DPP4 (0.70) DPP4DPP8DPP7
SCHEMBL6529422 0.57 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL6532173 0.57 DPP4 (0.83) DPP4DPP8DPP7
SCHEMBL6530580 0.57 DPP4 (0.82) DPP4DPP8DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005037828-A1 NOVEL INHIBITORS OF DPP-IV, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2005-04-28 WO disclosed