SCHEMBL20653552

SCHEMBL20653552

COc1cc(CC(=O)Nc2nc3cc(OCC(C)(C)C)ccc3s2)ccc1Oc1ncccc1C(N)=O

nearest known ligand 0.90

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.90

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
SCHEMBL23356662 0.95 ROCK2 (1.00) ROCK2
SCHEMBL30693255 0.95 ROCK2 (1.00) ROCK2
SCHEMBL30693288 0.92 ROCK2 (1.00) ROCK2
SCHEMBL20641305 0.92 ROCK2 (1.00) ROCK2
SCHEMBL20653160 0.91 ROCK2 (0.89) ROCK2
SCHEMBL20653553 0.88 ROCK2 (0.85) ROCK2
SCHEMBL30693308 0.87 ROCK2 (1.00) ROCK2
SCHEMBL20641279 0.87 ROCK2 (1.00) ROCK2
SCHEMBL20641297 0.86 ROCK2 (1.00) ROCK2
SCHEMBL30693289 0.86 ROCK2 (1.00) 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-2019014300-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-17 WO disclosed