SCHEMBL22249171

SCHEMBL22249171

CNCC1C2CN(C(C)Cc3ccc(-n4ccc(N)nc4=O)cc3)CC12

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.37
HTR4 Q13639 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
SCHEMBL22248398 0.89 ROCK2 (0.36) ROCK2
SCHEMBL22249180 0.89 ROCK2 (0.36) ROCK2
SCHEMBL22248422 0.89 ROCK2 (0.36) ROCK2HTR4
SCHEMBL22236020 0.89 HTR4 (0.35) ROCK2HTR4
SCHEMBL22235897 0.89 HTR4 (0.35) ROCK2HTR4
SCHEMBL22248426 0.88 ROCK2 (0.36) ROCK2
SCHEMBL22248961 0.86 ROCK2 (0.37) ROCK2
SCHEMBL22248425 0.86 ROCK2 (0.34) ROCK2
SCHEMBL30276402 0.84 ADORA2A (0.34) ROCK2HTR4
SCHEMBL22248402 0.83 ROCK2 (0.46) 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