SCHEMBL6944728

SCHEMBL6944728

CC=CC(N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
F2 P00734 1/20 0.46
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TAAR1 Q96RJ0 2/20 0.38

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
SCHEMBL23934880 1.00 DPP4 (0.46) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL2374243 0.80 DPP4 (0.50) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL795585 0.80 DPP4 (0.37) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL795583 0.80 DPP4 (0.37) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL31028945 0.77 MEN1 (0.41) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL1101279 0.76 DPP4 (0.41) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL8613849 0.75 MEN1 (0.39) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL692130 0.75 MEN1 (0.39) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL20312145 0.74 CYP1A2 (0.52) DPP4F2LMNAALDH1A1
SCHEMBL2398534 0.73 MEN1 (0.38) DPP4F2ADRA2AADRA2CLMNA

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-2003106399-A2 PROCESS FOR PREPARING N-PROTECTED β-AMINO ALDEHYDE COMPOUNDS THERAVANCE, INC. (US) 2003-12-24 WO disclosed
US-6313139-B1 ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS AKZO NOBEL N. V. (NL) 2001-11-06 US disclosed