SCHEMBL26439722

SCHEMBL26439722

CC1CC(NC(=O)C2CN(c3ccc(C(F)(F)F)c4nccnc34)CC23CC3)CC(C)N1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
RBP4 P02753 5/20 0.33
SSTR4 P31391 6/20 0.33
SSTR1 P30872 3/20 0.33
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
TTR P02766 1/20 0.31
WEE1 P30291 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
KCNH2 Q12809 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
SCHEMBL21776744 0.90 TLR7 (0.34) TLR7TLR9TLR8RBP4SSTR4
SCHEMBL21776764 0.89 TLR7 (0.34) TLR7TLR9TLR8RBP4SSTR4
SCHEMBL21795520 0.89 TLR7 (0.35) TLR7TLR9TLR8RBP4SSTR4
SCHEMBL21795288 0.89 RBP4 (0.33) TLR7TLR9TLR8RBP4SSTR4
SCHEMBL21795284 0.88 HTR3A (0.37) TLR7TLR9TLR8SSTR4SSTR1
SCHEMBL21795286 0.88 TLR7 (0.32) TLR7TLR9TLR8RBP4SSTR4
SCHEMBL21795524 0.86 GAA (0.39) TLR7TLR9TLR8SSTR4SSTR1
SCHEMBL21776658 0.85 SSTR4 (0.33) TLR7TLR9TLR8RBP4SSTR4
SCHEMBL21795527 0.85 TLR7 (0.37) TLR7TLR9TLR8RBP4SSTR4
SCHEMBL21795318 0.85 TLR7 (0.37) TLR7TLR9TLR8RBP4SSTR4

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-3844159-B1 NOVEL PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-03 EP disclosed