SCHEMBL3394094

SCHEMBL3394094

COC(=O)C(F)CCCN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
CPB2 Q96IY4 2/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
GSR P00390 1/20 0.33
ODC1 P11926 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
PAOX Q6QHF9 1/20 0.32

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
Hydrochloric Acid SCHEMBL1260994 0.98 CA1 (0.37) CA1CA2CYP1A2ZDHHC7CPB2
SCHEMBL1556319 0.87
Hydrochloric Acid SCHEMBL1262556 0.85 GABRR1 (0.37) CA1CA2ZDHHC7CPB2SMN1; SMN2
SCHEMBL29280835 0.83 ZDHHC7 (0.40) CA1CA2ZDHHC7MAPTSMN1; SMN2
SCHEMBL11311824 0.81 CA2 (0.59) CA1CA2ZDHHC7MAPTLMNA
SCHEMBL7948592 0.81 CA2 (0.59) CA1CA2ZDHHC7MAPTLMNA
SCHEMBL7948589 0.81 CA2 (0.59) CA1CA2ZDHHC7MAPTLMNA
SCHEMBL11537488 0.79 MAPT (0.59) CA1CA2ZDHHC7MAPTLMNA
SCHEMBL11798368 0.79 BLM (0.39) CA1CA2ZDHHC7MAPTSMN1; SMN2
SCHEMBL22114021 0.78

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
EP-1863812-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD (KR) 2010-07-14 EP disclosed
EP-1863812-A4 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD (KR) 2009-06-24 EP disclosed
EP-1863812-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG Life Sciences Ltd. (KR) 2007-12-12 EP disclosed
WO-2006104356-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES, LTD. (KR) 2006-10-05 WO disclosed