SCHEMBL23889174

SCHEMBL23889174

CC(C)C(=O)c1cnn2c(C3CC3)c(OCCOCC(F)(F)F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.40

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
SCHEMBL20646828 0.89 ROCK2 (0.40) ROCK2
SCHEMBL21947357 0.89 ROCK2 (0.41) ROCK2
SCHEMBL19128103 0.87 ROCK2 (0.42) ROCK2
SCHEMBL20647137 0.87 ROCK2 (0.40) ROCK2
SCHEMBL20646831 0.85 ROCK2 (0.39) ROCK2
SCHEMBL17452627 0.83 ROCK2 (0.52) ROCK2
SCHEMBL23889026 0.81 ROCK2 (0.37) ROCK2
SCHEMBL24247767 0.81 PLAT (0.41) ROCK2
SCHEMBL20646802 0.80 MAPK8 (0.37) ROCK2
SCHEMBL17452656 0.78 ROCK2 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 — — EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 — — EP disclosed
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