SCHEMBL22249176

SCHEMBL22249176

Nc1ccn(-c2ccc(CN3CC4CNC4C3)cc2)c(=O)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.47
CHRNB2 P17787 8/20 0.34
CHRNB4 P30926 8/20 0.34
CHRNA3 P32297 8/20 0.34
CHRNA4 P43681 8/20 0.34
IDH1 O75874 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MCHR1 Q99705 1/20 0.32
LIPE Q05469 1/20 0.31
BTK Q06187 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
SCHEMBL22248366 0.87 ROCK2 (0.49) ROCK2HRH3MCHR1LIPE
SCHEMBL22249164 0.83 ROCK2 (0.47) ROCK2HRH3MCHR1LIPEBTK
SCHEMBL22248694 0.83 ROCK2 (0.49) ROCK2HRH3MCHR1LIPEBTK
SCHEMBL22254826 0.82 ROCK2 (0.49) ROCK2HRH3MCHR1LIPEBTK
SCHEMBL22254490 0.82 ROCK2 (0.49) ROCK2HRH3MCHR1
SCHEMBL22248390 0.81 ROCK2 (0.52) ROCK2IDH1MCHR1LIPE
SCHEMBL22248938 0.80 ROCK2 (0.48) ROCK2HRH3MCHR1
SCHEMBL22254520 0.80 ROCK2 (0.48) ROCK2HRH3MCHR1
SCHEMBL22249157 0.80 ROCK2 (0.48) ROCK2HRH3MCHR1
SCHEMBL22248937 0.79 ROCK2 (0.47) ROCK2HRH3MCHR1

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