SCHEMBL22249166

SCHEMBL22249166

Nc1ccn(-c2ccc(CN3CCCC(N)C3)cc2)c(=O)n1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.58
GAA P10253 1/20 0.39
DPP4 P27487 2/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE2A O00408 1/20 0.35
KAT2B Q92831 1/20 0.35
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
CCR2 P41597 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL22248688 0.89 ROCK2 (0.50) ROCK2DPP4MCHR1
SCHEMBL22254223 0.89 ROCK2 (0.50) ROCK2DPP4MCHR1
SCHEMBL22254490 0.88 ROCK2 (0.49) ROCK2DPP4LMNAKCNH2MCHR1
SCHEMBL22248654 0.86 ROCK2 (0.50) ROCK2ALDH1A1
SCHEMBL22254485 0.86 ROCK2 (0.51) ROCK2KCNH2MCHR1
SCHEMBL22254166 0.83 ROCK2 (0.51) ROCK2GAADPP4MCHR1
SCHEMBL22254159 0.83 ROCK2 (0.51) ROCK2GAADPP4MCHR1
SCHEMBL25532196 0.83 ROCK2 (0.51) ROCK2GAADPP4MCHR1
SCHEMBL22254182 0.82 ROCK2 (0.50) ROCK2DPP4KCNH2MCHR1CCR2
SCHEMBL25532200 0.82 ROCK2 (0.50) ROCK2DPP4KCNH2MCHR1CCR2

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