SCHEMBL18780940

SCHEMBL18780940

CC(C)(N)CCn1cccn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
FDPS P14324 1/20 0.34
NOS1 P29475 4/20 0.34
NOS3 P29474 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
THRB P10828 2/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL855608 0.83 DAO (0.38) DAOFDPSNOS1NOS3TLR8
SCHEMBL21996409 0.80 FDPS (0.38) DAOFDPSNOS1NOS3THRB
SCHEMBL13715227 0.80 DAO (0.36) DAOFDPSNOS1NOS3TLR8
SCHEMBL16861331 0.79 FDPS (0.36) DAOFDPSNOS1NOS3TLR8
SCHEMBL28667189 0.76 LMNA (0.37) DAOFDPSTHRBTSHRLMNA
SCHEMBL19992033 0.75 LMNA (0.38) DAOFDPSTHRBTSHRKDM4E
SCHEMBL5713341 0.75 DAO (0.50) DAOFDPSNOS1NOS3THRB
SCHEMBL33257 0.73
SCHEMBL23920175 0.73 DAO (0.37) DAOFDPSTLR8TLR7THRB
SCHEMBL19049543 0.72 TLR8 (0.34) DAOFDPSTLR8TLR7THRB

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
WO-2017069270-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND 大正製薬株式会社 2017-04-27 WO disclosed