SCHEMBL22249097

SCHEMBL22249097

NC1CCCN(Cc2ccc(-n3ccc(NC(=O)N4CCNCC4)nc3=O)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.45
GAA P10253 1/20 0.35
FLT3 P36888 1/20 0.34
CCR2 P41597 1/20 0.34
KCNH2 Q12809 1/20 0.34
ENPP2 Q13822 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
LDLR P01130 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32

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
SCHEMBL25532012 1.00 ROCK2 (0.45) ROCK2GAAFLT3CCR2KCNH2
SCHEMBL22254540 1.00 ROCK2 (0.45) ROCK2GAAFLT3CCR2KCNH2
SCHEMBL22254544 0.97 ROCK2 (0.45) ROCK2GAAFLT3CCR2KCNH2
SCHEMBL22254545 0.95 ROCK2 (0.41) ROCK2KCNH2ENPP2
SCHEMBL25532018 0.95 ROCK2 (0.41) ROCK2KCNH2ENPP2
SCHEMBL22254546 0.95 ROCK2 (0.41) ROCK2KCNH2ENPP2
SCHEMBL22254465 0.92 ROCK2 (0.38) ROCK2FLT3CCR2KCNH2ENPP2
SCHEMBL22249137 0.92 ROCK2 (0.38) ROCK2FLT3CCR2KCNH2ENPP2
SCHEMBL22254537 0.92 ROCK2 (0.39) ROCK2ENPP2
SCHEMBL22248295 0.89 ROCK2 (0.38) ROCK2

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 2 patents. 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
WO-2020150385-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed