SCHEMBL795585

SCHEMBL795585

CC=CCCC=CC(N)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
F2 P00734 1/20 0.37
TAAR1 Q96RJ0 3/20 0.35
AOC3 Q16853 1/20 0.35
HTR2A P28223 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL795583 1.00 DPP4 (0.37) DPP4F2TAAR1AOC3HTR2A
SCHEMBL6944728 0.80 DPP4 (0.46) DPP4F2TAAR1ADRA2AADRA2C
SCHEMBL23934880 0.80 DPP4 (0.46) DPP4F2TAAR1ADRA2AADRA2C
SCHEMBL795495 0.79 EPHX1 (0.48) TAAR1
SCHEMBL795497 0.79 EPHX1 (0.48) TAAR1
SCHEMBL1101279 0.79 DPP4 (0.41) DPP4F2TAAR1AOC3HTR2A
SCHEMBL27082226 0.76 TAAR1 (0.44) DPP4F2TAAR1AOC3HTR2A
SCHEMBL8034429 0.75 DPP4 (0.41) DPP4F2TAAR1HTR2AADRA2A
SCHEMBL8034426 0.75 DPP4 (0.41) DPP4F2TAAR1HTR2AADRA2A
SCHEMBL4751156 0.72 HRH1 (0.47) TAAR1HTR2AADRA2AADRA2CLMNA

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-2616056-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS Neuroquest Inc. (CA) 2013-07-24 EP disclosed
WO-2012034232-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS NEUROQUEST INC. (CA) 2012-03-22 WO disclosed