SCHEMBL20653904

SCHEMBL20653904

CC(C)(O)COc1ccc2c(C(=O)N=O)cnn2c1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.51

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
SCHEMBL17454370 0.88 ROCK2 (0.55) ROCK2
SCHEMBL17437880 0.88 ROCK2 (0.54) ROCK2
SCHEMBL19151443 0.87 ROCK2 (0.61) ROCK2
SCHEMBL23587195 0.86 ROCK2 (0.58) ROCK2
SCHEMBL19902682 0.86 ROCK2 (0.52) ROCK2
SCHEMBL17452627 0.85 ROCK2 (0.52) ROCK2
SCHEMBL23683866 0.83 ROCK2 (0.50) ROCK2
SCHEMBL21948600 0.81 ROCK2 (0.49) ROCK2
SCHEMBL20654134 0.81 ROCK2 (0.49) ROCK2
SCHEMBL23587398 0.79 ROCK2 (0.53) 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-2019014308-A1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-17 — — WO disclosed
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