SCHEMBL22248446

SCHEMBL22248446

Nc1ccn(-c2ccc(CCCN3CCC4(CC3)CC(N)C4)cc2)c(=O)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.39
SIGMAR1 Q99720 3/20 0.34
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK14 Q16539 1/20 0.33
MCHR1 Q99705 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
TMEM97 Q5BJF2 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
SCHEMBL22248935 0.94 ROCK2 (0.42) ROCK2SIGMAR1MCHR1SPHK1
SCHEMBL22248674 0.87 ROCK2 (0.47) ROCK2SIGMAR1
SCHEMBL22254189 0.84 ROCK2 (0.41) ROCK2SIGMAR1L3MBTL3L3MBTL1MAPK14
SCHEMBL22248932 0.82 ROCK2 (0.40) ROCK2SIGMAR1MCHR1
SCHEMBL22248658 0.82 ROCK2 (0.45) ROCK2SIGMAR1L3MBTL3L3MBTL1
SCHEMBL22248949 0.79 SPHK1 (0.47) ROCK2L3MBTL3L3MBTL1MCHR1SPHK1
SCHEMBL22248957 0.78 ROCK2 (0.41) ROCK2SIGMAR1L3MBTL3L3MBTL1MCHR1
SCHEMBL22249159 0.78 ROCK2 (0.46) ROCK2
SCHEMBL22254225 0.77 ROCK2 (0.44) ROCK2L3MBTL3L3MBTL1MCHR1SPHK1
Hydrochloric Acid SCHEMBL30276621 0.76 FAAH (0.35) SIGMAR1

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