SCHEMBL16302136

SCHEMBL16302136

O=C1NC(CCc2cccc3ccccc23)=NC12CCNCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.40
ADRA1A P35348 3/20 0.39
MAPK1 P28482 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
CYP2D6 P10635 2/20 0.39
LMNA P02545 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
MAPT P10636 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
OPRM1 P35372 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
POLB P06746 1/20 0.37
ADRA1D P25100 2/20 0.36
ADRA1B P35368 2/20 0.36
ACHE P22303 1/20 0.36
SLC6A4 P31645 1/20 0.36
MCL1 Q07820 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL3047898 0.67 CYP1A2 (0.62) DAOCYP2D6MCL1
SCHEMBL12432017 0.67
SCHEMBL16104645 0.67 GPR84 (0.37) DAO
SCHEMBL879837 0.66 CYP19A1 (0.32) LMNA
SCHEMBL2426716 0.65 SIGMAR1 (0.42) MAPK1CYP2D6OPRM1NISCH
SCHEMBL13065154 0.64 MMP2 (0.32)
SCHEMBL4160738 0.63 LMNA (0.53) TAAR1CYP2D6LMNAHTR1AACHE
SCHEMBL850380 0.63 HTT (0.39) LMNASLC6A4
SCHEMBL27907154 0.63 CYP1A2 (0.52) DAOCYP2D6MCL1
SCHEMBL7990233 0.62 SLC6A4 (0.60) TAAR1CYP2D6SLC6A4

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
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed