SCHEMBL22248653

SCHEMBL22248653

Cc1cc(-n2ccc(N)nc2=O)ccc1CCN1CCC2CC2(N)C1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.34

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
SCHEMBL22248931 0.85 ROCK2 (0.41) ROCK2
SCHEMBL22248727 0.80
SCHEMBL22248386 0.80 ROCK2 (0.33) ROCK2
Hydrochloric Acid SCHEMBL30276424 0.80
Hydrochloric Acid SCHEMBL22235543 0.80
SCHEMBL22254192 0.76 ROCK2 (0.39) ROCK2
SCHEMBL22249174 0.74 ROCK2 (0.43) ROCK2
SCHEMBL22233851 0.71 DRD4 (0.43) ROCK2
Hydrochloric Acid SCHEMBL30276414 0.71 HTR2A (0.31)
SCHEMBL22248652 0.70 ROCK2 (0.34) 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