SCHEMBL28709002

SCHEMBL28709002

COc1cc(C2CCC[C@](O)(NC(C)C)C2)c(F)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.39
FFAR4 Q5NUL3 1/20 0.35
HRH2 P25021 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
CCR2 P41597 1/20 0.32

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
SCHEMBL20103675 0.76 ALOX5AP (0.41) FFAR1FFAR4TLR9TLR8TLR7
SCHEMBL20103177 0.68 FFAR1 (0.43) FFAR1FFAR4TLR9TLR8TLR7
SCHEMBL21644913 0.68 FFAR1 (0.43) FFAR1FFAR4TLR9TLR8TLR7
SCHEMBL20103176 0.68 FFAR1 (0.43) FFAR1FFAR4TLR9TLR8TLR7
SCHEMBL20103485 0.65 FFAR1 (0.42) FFAR1FFAR4TLR9TLR8TLR7
SCHEMBL20103605 0.64 FFAR1 (0.40) FFAR1FFAR4TLR9TLR8TLR7
SCHEMBL16318672 0.60 PDE2A (0.40) FFAR1FFAR4TLR9TLR8TLR7
SCHEMBL12192066 0.60 FFAR1 (0.51) FFAR1FFAR4TLR9TLR8TLR7
SCHEMBL2317185 0.59 FFAR1 (0.51) FFAR1FFAR4
SCHEMBL2310827 0.59 FFAR1 (0.51) FFAR1FFAR4

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
CN-114206874-A Bicyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-03-18 CN claimed
CN-114206874-A Bicyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-03-18 CN disclosed