SCHEMBL22248676

SCHEMBL22248676

Nc1ccn(-c2ccc(CCN3CC4CNCC4C3)cc2)c(=O)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.43
USP28 Q96RU2 2/20 0.35
USP25 Q9UHP3 1/20 0.35
ADORA2A P29274 1/20 0.35
NOS1 P29475 6/20 0.33
NOS3 P29474 5/20 0.33
MCHR1 Q99705 3/20 0.32
SIGMAR1 Q99720 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 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 0.88 ROCK2 (0.49) ROCK2USP28USP25MCHR1
SCHEMBL22254225 0.86 ROCK2 (0.44) ROCK2NOS1NOS3MCHR1CHRM2
SCHEMBL22249162 0.84 ROCK2 (0.42) ROCK2NOS1NOS3MCHR1CHRM2
SCHEMBL22248950 0.84 ROCK2 (0.42) ROCK2NOS1NOS3MCHR1CHRM2
SCHEMBL22248936 0.84 ROCK2 (0.40) ROCK2NOS1NOS3MCHR1
SCHEMBL22248697 0.82 KCNH2 (0.46) ROCK2USP28USP25NOS1NOS3
SCHEMBL22248453 0.82 ROCK2 (0.41) ROCK2NOS1NOS3MCHR1CHRM2
SCHEMBL25532068 0.80 ROCK2 (0.45) ROCK2NOS1NOS3MCHR1CHRM2
SCHEMBL22254209 0.80 ROCK2 (0.45) ROCK2NOS1NOS3MCHR1CHRM2
SCHEMBL22254189 0.79 ROCK2 (0.41) ROCK2MCHR1SIGMAR1

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