SCHEMBL4703979

SCHEMBL4703979

C#CC1CC[C@@H](C#N)N1C(=O)CNC1(C)CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.77
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ABL1 P00519 1/20 0.47
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
HSD11B1 P28845 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CXCR3 P49682 2/20 0.42

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
SCHEMBL646180 1.00 DPP4 (0.77) DPP4LMNAKDM4EABL1DPP8
SCHEMBL4703981 1.00 DPP4 (0.77) DPP4LMNAKDM4EABL1DPP8
SCHEMBL647706 0.88 DPP4 (0.77) DPP4DPP8DPP9CXCR3
SCHEMBL1381215 0.87 DPP4 (0.81) DPP4DPP8DPP9DPP7
SCHEMBL647019 0.87 DPP4 (0.81) DPP4DPP8DPP9DPP7
SCHEMBL648093 0.86 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL649897 0.85 DPP4 (0.77) DPP4LMNADPP8DPP9ALDH1A1
SCHEMBL647446 0.85 DPP4 (0.77) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL6701734 0.84 DPP4 (0.71) DPP4DPP8DPP9DPP7HSD11B1
SCHEMBL645765 0.84 DPP4 (0.56) DPP4DPP9

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
EP-1560811-B9 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2008-03-05 EP disclosed
EP-1560811-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2007-08-01 EP disclosed