SCHEMBL878326

SCHEMBL878326

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N3C=CC(C(F)(F)F)=C(C(=O)O)C3)CC4)CC2)cc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PDK2 Q15119 4/20 0.35
F10 P00742 1/20 0.34
POLB P06746 1/20 0.32
USP30 Q70CQ3 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
RBP4 P02753 1/20 0.31
CNR2 P34972 1/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
KDM4A O75164 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
DRD2 P14416 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL876436 0.90 SLC2A1 (0.35) TLR9TLR8TLR7PDK2F10
SCHEMBL876498 0.86 SLC2A1 (0.38) PDK2F10POLBCNR2JAK2
SCHEMBL875679 0.84 F10 (0.34) TLR9TLR8TLR7PDK2F10
SCHEMBL875502 0.79 ALDH1A1 (0.34) PDK2F10POLB
SCHEMBL876159 0.78 NPC1 (0.35) PDK2F10POLBKDM4CGPR55
SCHEMBL878327 0.77 TLR9 (0.36) TLR9TLR8TLR7PDK2F10
SCHEMBL878362 0.77 TLR9 (0.36) TLR9TLR8TLR7F10POLB
SCHEMBL785591 0.76 F10 (0.44) TLR9TLR8TLR7PDK2F10
SCHEMBL784885 0.75 TLR9 (0.42) TLR9TLR8TLR7F10POLB
SCHEMBL784539 0.74 TLR9 (0.43) TLR9TLR8TLR7PDK2F10

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-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed