SCHEMBL24247790

SCHEMBL24247790

COc1cccc(C(N)=O)c1OCNC(=O)c1cnn2c(C3CC3)c(OCC(C)(C)O)ccc12

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
SCHEMBL20646756 0.86 ROCK2 (0.62) ROCK2
SCHEMBL19127200 0.83 ROCK2 (0.74) ROCK2
SCHEMBL19151443 0.82 ROCK2 (0.61) ROCK2
SCHEMBL23587195 0.79 ROCK2 (0.58) ROCK2
SCHEMBL20646924 0.79 ROCK2 (0.62) ROCK2
SCHEMBL19150903 0.78 ROCK2 (0.65) ROCK2
SCHEMBL19128499 0.77 ROCK2 (0.74) ROCK2
SCHEMBL19150730 0.76 ROCK2 (0.79) ROCK2
SCHEMBL17454370 0.75 ROCK2 (0.55) ROCK2
SCHEMBL23587398 0.75 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
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 — — EP disclosed
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