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SCHEMBL22248809

SCHEMBL22248809

CC(C)(C)OC(=O)NC1C2CN(Cc3ccc(-n4ccc(NC(=O)N5CC6CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CC6C5)nc4=O)cc3)CC21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.36
▸ FAAH O00519 8/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ TEAD1 P28347 1/20 0.32
▸ LIPE Q05469 1/20 0.32
▸ NAMPT P43490 2/20 0.31
▸ PHGDH O43175 1/20 0.31
▸ KCNK3 O14649 1/20 0.30
▸ KCNK9 Q9NPC2 1/20 0.30
▸ MCHR1 Q99705 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
SCHEMBL30276507 1.00 JAK1 (0.36) JAK1FAAHHRH3TEAD1LIPE
SCHEMBL22236063 0.96 JAK1 (0.34) JAK1FAAHHRH3TEAD1LIPE
SCHEMBL22249207 0.93 JAK1 (0.36) JAK1FAAHHRH3TEAD1NAMPT
SCHEMBL30276467 0.93 JAK1 (0.36) JAK1FAAHHRH3TEAD1NAMPT
SCHEMBL30276408 0.88 CHRM4 (0.34) JAK1
SCHEMBL30276394 0.87 KCNK3 (0.38) JAK1FAAHLIPENAMPTKCNK3
SCHEMBL30276645 0.87 FAAH (0.34) JAK1FAAHNAMPT
SCHEMBL22249200 0.87 FAAH (0.34) JAK1FAAHNAMPT
SCHEMBL30276616 0.85 JAK1 (0.36) JAK1FAAHHRH3
SCHEMBL22235950 0.85 JAK1 (0.37) JAK1FAAHHRH3TEAD1MCHR1

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