SCHEMBL22248394

SCHEMBL22248394

C[C@@H](N)C1[C@H]2CN(CCc3ccc(-n4ccc(N)nc4=O)cc3)C[C@@H]12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.40
NOS1 P29475 4/20 0.35
NOS3 P29474 3/20 0.35
MCHR1 Q99705 1/20 0.33

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
SCHEMBL22248401 0.89 ROCK2 (0.45) ROCK2MCHR1
SCHEMBL22248953 0.88 ROCK2 (0.39) ROCK2NOS1NOS3MCHR1
SCHEMBL22248947 0.88 ROCK2 (0.39) ROCK2NOS1NOS3MCHR1
SCHEMBL22249162 0.85 ROCK2 (0.42) ROCK2NOS1NOS3MCHR1
SCHEMBL22248950 0.85 ROCK2 (0.42) ROCK2NOS1NOS3MCHR1
SCHEMBL22248453 0.84 ROCK2 (0.41) ROCK2NOS1NOS3MCHR1
SCHEMBL22254225 0.83 ROCK2 (0.44) ROCK2NOS1NOS3MCHR1
SCHEMBL22254213 0.82 ROCK2 (0.51) ROCK2NOS1NOS3
SCHEMBL22248936 0.81 ROCK2 (0.40) ROCK2NOS1NOS3MCHR1
SCHEMBL22248676 0.79 ROCK2 (0.43) ROCK2NOS1NOS3MCHR1

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