SCHEMBL22249141

SCHEMBL22249141

N[C@H]1CN(Cc2ccc(-n3ccc(NC(=O)N4CCNCC4)nc3=O)cc2)CC12CC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.38
ENPP2 Q13822 2/20 0.32
POLB P06746 1/20 0.31
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
FAAH O00519 6/20 0.31
CXCR3 P49682 1/20 0.30
ABL1 P00519 1/20 0.30
RIN1 Q13671 1/20 0.30
F10 P00742 1/20 0.30
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
PAICS P22234 1/20 0.30
JAK2 O60674 1/20 0.30
SYK P43405 1/20 0.30
NPY5R Q15761 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
SCHEMBL22249152 1.00 ROCK2 (0.38) ROCK2ENPP2POLBKDM1AMAOB
SCHEMBL22249145 0.91 ROCK2 (0.36) ROCK2ENPP2POLBKDM1AMAOB
SCHEMBL22248357 0.89 ROCK2 (0.35) ROCK2ENPP2FAAHABL1RIN1
SCHEMBL22254537 0.88 ROCK2 (0.39) ROCK2ENPP2POLBFAAH
SCHEMBL22248333 0.87 ROCK2 (0.36) ROCK2ENPP2FAAHABL1RIN1
SCHEMBL22248499 0.87 ROCK2 (0.36) ROCK2FAAH
SCHEMBL22235671 0.86 ROCK2 (0.38) ROCK2ENPP2POLBFAAH
SCHEMBL22249150 0.86 ROCK2 (0.38) ROCK2ENPP2POLBFAAH
SCHEMBL22248329 0.86 ROCK2 (0.38) ROCK2ENPP2POLBFAAH
SCHEMBL22248411 0.85 CXCR4 (0.39) POLBFAAH

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