SCHEMBL22248333

SCHEMBL22248333

NC1CCC12CCN(Cc1ccc(-n3ccc(NC(=O)N4CCNCC4)nc3=O)cc1)CC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.36
JAK2 O60674 1/20 0.33
SYK P43405 1/20 0.33
FAAH O00519 10/20 0.32
NAMPT P43490 1/20 0.32
ENPP2 Q13822 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
F10 P00742 1/20 0.31
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
PAICS P22234 1/20 0.31
DGAT1 O75907 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
SCHEMBL22248357 0.93 ROCK2 (0.35) ROCK2JAK2SYKFAAHNAMPT
SCHEMBL22249145 0.90 ROCK2 (0.36) ROCK2JAK2SYKFAAHNAMPT
SCHEMBL22248413 0.88 HPGD (0.36) ROCK2FAAHIKBKETBK1
SCHEMBL22248295 0.88 ROCK2 (0.38) ROCK2FAAHF10
SCHEMBL22249152 0.87 ROCK2 (0.38) ROCK2JAK2SYKFAAHENPP2
SCHEMBL22249141 0.87 ROCK2 (0.38) ROCK2JAK2SYKFAAHENPP2
SCHEMBL22248293 0.87 ROCK2 (0.36) ROCK2FAAHIKBKETBK1
SCHEMBL22249044 0.87 FAAH (0.35) ROCK2FAAHNAMPTDGAT1
SCHEMBL22248665 0.87 KDM1A (0.37) FAAH
SCHEMBL22248411 0.87 CXCR4 (0.39) FAAH

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