SCHEMBL20653934

SCHEMBL20653934

CC(C)(O)COc1ccc2c(C(=O)NC3CCC(Oc4nn(CC5CC5)cc4C(N)O)CC3)cnn2c1C1CC1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.70

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
SCHEMBL23587208 0.90 ROCK2 (0.85) ROCK2
SCHEMBL23382316 0.90 ROCK2 (0.85) ROCK2
SCHEMBL23382885 0.85 ROCK2 (0.78) ROCK2
SCHEMBL23382880 0.83 ROCK2 (0.85) ROCK2
SCHEMBL23382339 0.82 ROCK2 (0.85) ROCK2
SCHEMBL23382887 0.82 ROCK2 (0.85) ROCK2
SCHEMBL23683865 0.82 ROCK2 (1.00) ROCK2
SCHEMBL23587385 0.82 ROCK2 (0.70) ROCK2
SCHEMBL23382914 0.82 ROCK2 (0.84) ROCK2
SCHEMBL23382605 0.81 ROCK2 (0.86) 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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