SCHEMBL22249207

SCHEMBL22249207

CC(C)(C)OC(=O)NC1C2CN(Cc3ccc(-n4ccc(NC(=O)N5CCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CC5)nc4=O)cc3)C[C@H]21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.36
FAAH O00519 8/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ROCK2 O75116 3/20 0.33
TEAD1 P28347 1/20 0.33
ENPP2 Q13822 1/20 0.32
NAMPT P43490 2/20 0.32
ATM Q13315 1/20 0.31
PRKAB2 O43741 2/20 0.31
PRKAG1 P54619 2/20 0.31
PRKAA2 P54646 2/20 0.31
PRKAA1 Q13131 2/20 0.31
PRKAG3 Q9UGI9 2/20 0.31
PRKAG2 Q9UGJ0 2/20 0.31
PRKAB1 Q9Y478 2/20 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
SCHEMBL30276467 1.00 JAK1 (0.36) JAK1FAAHHRH3ROCK2TEAD1
SCHEMBL30276507 0.93 JAK1 (0.36) JAK1FAAHHRH3TEAD1NAMPT
SCHEMBL22248809 0.93 JAK1 (0.36) JAK1FAAHHRH3TEAD1NAMPT
SCHEMBL22249200 0.93 FAAH (0.34) JAK1FAAHROCK2ENPP2NAMPT
SCHEMBL30276645 0.93 FAAH (0.34) JAK1FAAHROCK2ENPP2NAMPT
SCHEMBL22235950 0.92 JAK1 (0.37) JAK1FAAHHRH3ROCK2TEAD1
SCHEMBL30276408 0.92 CHRM4 (0.34) JAK1
SCHEMBL28694755 0.91 NAMPT (0.36) JAK1FAAHROCK2ENPP2NAMPT
SCHEMBL30276616 0.90 JAK1 (0.36) JAK1FAAHHRH3ROCK2ENPP2
SCHEMBL30276619 0.89 FAAH (0.34) JAK1FAAHROCK2ENPP2NAMPT

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
WO-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed