SCHEMBL22249291

SCHEMBL22249291

CN(CC1C2CN(Cc3ccc(-n4ccc(NC(=O)N5CCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CC5)nc4=O)cc3)CC21)C(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.31
FAAH O00519 1/20 0.31
ROCK2 O75116 1/20 0.30
ENPP2 Q13822 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
SCHEMBL30276499 0.90 JAK1 (0.32) JAK1FAAHROCK2ENPP2
SCHEMBL28694755 0.89 NAMPT (0.36) JAK1FAAHROCK2ENPP2
SCHEMBL30276645 0.89 FAAH (0.34) JAK1FAAHROCK2ENPP2
SCHEMBL22249200 0.89 FAAH (0.34) JAK1FAAHROCK2ENPP2
SCHEMBL22249207 0.88 JAK1 (0.36) JAK1FAAHROCK2ENPP2
SCHEMBL30276467 0.88 JAK1 (0.36) JAK1FAAHROCK2ENPP2
SCHEMBL30276619 0.85 FAAH (0.34) JAK1FAAHROCK2ENPP2
SCHEMBL30276394 0.85 KCNK3 (0.38) JAK1FAAHENPP2
SCHEMBL22248809 0.82 JAK1 (0.36) JAK1FAAH
SCHEMBL30276507 0.82 JAK1 (0.36) JAK1FAAH

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