SCHEMBL23889072

SCHEMBL23889072

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

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.53

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
SCHEMBL23587398 0.91 ROCK2 (0.53) ROCK2
SCHEMBL19151443 0.90 ROCK2 (0.61) ROCK2
SCHEMBL23587123 0.89 ROCK2 (0.51) ROCK2
SCHEMBL20646744 0.81 ROCK2 (0.60) ROCK2
SCHEMBL17437880 0.80 ROCK2 (0.54) ROCK2
SCHEMBL23587195 0.78 ROCK2 (0.58) ROCK2
SCHEMBL19902682 0.78 ROCK2 (0.52) ROCK2
SCHEMBL20653904 0.77 ROCK2 (0.51) ROCK2
SCHEMBL17452627 0.77 ROCK2 (0.52) ROCK2
SCHEMBL23889037 0.76 ROCK2 (0.41) 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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