SCHEMBL22248402

SCHEMBL22248402

CNCC1C2CN(Cc3ccc(-n4ccc(N)nc4=O)cc3)CC12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.46
LTA4H P09960 1/20 0.34
MCHR1 Q99705 2/20 0.33
NPY5R Q15761 2/20 0.33
JAK1 P23458 1/20 0.31
JAK3 P52333 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
SCHEMBL22248383 0.86 ROCK2 (0.47) ROCK2MCHR1JAK1JAK3
SCHEMBL22248937 0.85 ROCK2 (0.47) ROCK2MCHR1JAK1JAK3
SCHEMBL22248938 0.84 ROCK2 (0.48) ROCK2MCHR1JAK1JAK3
SCHEMBL22249157 0.84 ROCK2 (0.48) ROCK2MCHR1JAK1JAK3
SCHEMBL22249171 0.83 ROCK2 (0.37) ROCK2
SCHEMBL22248401 0.81 ROCK2 (0.45) ROCK2MCHR1JAK1JAK3
SCHEMBL22248959 0.81 ROCK2 (0.45) ROCK2MCHR1JAK1JAK3
SCHEMBL22254490 0.81 ROCK2 (0.49) ROCK2MCHR1JAK1JAK3
SCHEMBL22248365 0.80 ROCK2 (0.45) ROCK2LTA4HMCHR1
SCHEMBL22254520 0.79 ROCK2 (0.48) ROCK2MCHR1JAK1JAK3

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