SCHEMBL22248384

SCHEMBL22248384

NCC12CC1CN(CCc1ccc(-n3ccc(N)nc3=O)cc1F)C2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 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
SCHEMBL22248386 0.89 ROCK2 (0.33) ROCK2
SCHEMBL22248369 0.89 MAOB (0.33) ROCK2
SCHEMBL22248391 0.87 ROCK2 (0.32) ROCK2
SCHEMBL22249168 0.85 ROCK2 (0.39) ROCK2
SCHEMBL22248652 0.83 ROCK2 (0.34) ROCK2
SCHEMBL22248433 0.83 ROCK2 (0.42) ROCK2
SCHEMBL22248441 0.81 ROCK2 (0.36) ROCK2
SCHEMBL22248302 0.81 F10 (0.32)
SCHEMBL22248389 0.79 ROCK2 (0.43) ROCK2
SCHEMBL22249158 0.75 ROCK2 (0.33) ROCK2

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