SCHEMBL21795293

SCHEMBL21795293

NC(=O)C1CN(c2ccc(C(F)(F)F)c3nccnc23)CC12CC2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 3/20 0.34
SSTR1 P30872 2/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
RBP4 P02753 4/20 0.32
TTR P02766 1/20 0.32
PRKCQ Q04759 4/20 0.32
PRKCD Q05655 3/20 0.32
HSD11B1 P28845 1/20 0.32
RPS6KB1 P23443 3/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL21795374 0.91 KHK (0.36) SSTR4SSTR1HCRTR1HCRTR2RBP4
SCHEMBL21776764 0.83 TLR7 (0.34) SSTR4SSTR1HCRTR1HCRTR2JAK2
SCHEMBL21795320 0.82 TLR7 (0.37) SSTR4SSTR1RBP4TTR
SCHEMBL21795318 0.82 TLR7 (0.37) SSTR4SSTR1RBP4TTR
SCHEMBL21795527 0.82 TLR7 (0.37) SSTR4SSTR1RBP4TTR
SCHEMBL21795524 0.82 GAA (0.39) SSTR4SSTR1JAK2JAK1
SCHEMBL21795472 0.82 JAK1 (0.39) JAK2JAK1
SCHEMBL21776775 0.81 SSTR4 (0.48) SSTR4SSTR1HCRTR1HCRTR2RBP4
SCHEMBL21795529 0.81 RBP4 (0.33) SSTR4SSTR1HCRTR1HCRTR2JAK2
SCHEMBL21776656 0.80 TLR9 (0.48) SSTR4SSTR1

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