SCHEMBL21795386

SCHEMBL21795386

CC1CN(c2ccc(C#N)c3ncccc23)C[C@H]1C(=O)NC1CCN(C)CC1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.82
TLR9 Q9NR96 7/20 0.82
TLR7 Q9NYK1 7/20 0.82
SSTR4 P31391 6/20 0.45
ACKR3 P25106 1/20 0.39
ELANE P08246 1/20 0.38
AR P10275 3/20 0.37
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL21776673 1.00 TLR8 (0.82) TLR8TLR9TLR7SSTR4ACKR3
SCHEMBL21795289 1.00 TLR8 (0.82) TLR8TLR9TLR7SSTR4ACKR3
SCHEMBL21795479 1.00 TLR8 (0.82) TLR8TLR9TLR7SSTR4ACKR3
SCHEMBL21776668 1.00 TLR8 (0.82) TLR8TLR9TLR7SSTR4ACKR3
SCHEMBL21776672 1.00 TLR8 (0.82) TLR8TLR9TLR7SSTR4ACKR3
SCHEMBL21795281 0.90 TLR9 (1.00) TLR8TLR9TLR7SSTR4ACKR3
SCHEMBL21795280 0.90 TLR9 (1.00) TLR8TLR9TLR7SSTR4ACKR3
SCHEMBL21776662 0.90 TLR8 (0.66) TLR8TLR9TLR7SSTR4ACKR3
SCHEMBL21776660 0.90 TLR8 (0.66) TLR8TLR9TLR7SSTR4ACKR3
SCHEMBL21776659 0.90 TLR8 (0.66) TLR8TLR9TLR7SSTR4ACKR3

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