SCHEMBL3249765

SCHEMBL3249765

NC(=O)c1cccc(CNC(=O)Oc2ccc(-c3cn[nH]c3)cc2OCCCO)c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.51
ROCK1 Q13464 14/20 0.51
FAAH O00519 1/20 0.42
MELK Q14680 1/20 0.42

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
SCHEMBL3244191 0.85 ROCK2 (0.52) ROCK2ROCK1MELK
SCHEMBL3248261 0.82 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL3249772 0.80 ROCK2 (0.47) ROCK2ROCK1MELK
SCHEMBL3252655 0.79 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL3247491 0.77 ROCK2 (0.55) ROCK2ROCK1
SCHEMBL3247373 0.73 ROCK2 (0.58) ROCK2ROCK1
SCHEMBL3129499 0.72 ROCK2 (0.45) ROCK2ROCK1MELK
SCHEMBL13391340 0.71 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL3249574 0.71 ROCK2 (0.49) ROCK2ROCK1
SCHEMBL3251847 0.71 ROCK2 (0.55) ROCK2ROCK1MELK

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-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed