SCHEMBL21795291

SCHEMBL21795291

N#Cc1ccc(N2CCC(C(=O)NC3CCN(C4CCNCC4)CC3)C2)c2nccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.57
TLR7 Q9NYK1 2/20 0.57
TLR8 Q9NR97 1/20 0.57
USP30 Q70CQ3 2/20 0.39
PARP1 P09874 1/20 0.39
EPHX2 P34913 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
PRKD1 Q15139 1/20 0.34
CYP46A1 Q9Y6A2 1/20 0.34
THRB P10828 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL21795387 0.86 TLR9 (0.78) TLR9TLR7TLR8USP30PARP1
SCHEMBL21795383 0.86 TLR9 (0.78) TLR9TLR7TLR8USP30PARP1
SCHEMBL26439553 0.85 TLR9 (0.73) TLR9TLR7TLR8USP30TSHR
SCHEMBL23943081 0.84 TLR9 (0.62) TLR9TLR7TLR8USP30PARP1
SCHEMBL21776661 0.84 TLR9 (0.62) TLR9TLR7TLR8USP30PARP1
SCHEMBL21776695 0.76 TLR8 (0.60) TLR9TLR7TLR8USP30TSHR
SCHEMBL29722630 0.73 TLR8 (0.61) TLR9TLR7TLR8USP30PARP1
SCHEMBL19000110 0.73 TLR8 (0.61) TLR9TLR7TLR8USP30PARP1
SCHEMBL29722264 0.73 TLR9 (0.66) TLR9TLR7TLR8USP30TSHR
SCHEMBL19000107 0.73 TLR9 (0.66) TLR9TLR7TLR8USP30TSHR

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-3844159-B1 NOVEL PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-03 EP disclosed
WO-2020043271-A1 NOVEL PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-05 WO disclosed