SCHEMBL24247701

SCHEMBL24247701

Cc1nccnc1OC1CC2(CC(NC(=O)c3cnn4cc(OCC(C)(C)O)ccc34)C2)C1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.73

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
SCHEMBL19149924 0.91 ROCK2 (0.71) ROCK2
SCHEMBL19128500 0.90 ROCK2 (0.77) ROCK2
SCHEMBL19127971 0.88 ROCK2 (0.74) ROCK2
SCHEMBL20647064 0.86 ROCK2 (0.74) ROCK2
SCHEMBL19151010 0.86 ROCK2 (0.69) ROCK2
Formamide SCHEMBL20638682 0.85 ROCK2 (0.70) ROCK2
SCHEMBL19128283 0.85 ROCK2 (0.74) ROCK2
SCHEMBL23382599 0.85 ROCK2 (1.00) ROCK2
SCHEMBL19127334 0.84 ROCK2 (0.64) ROCK2
SCHEMBL23889153 0.84 ROCK2 (0.68) 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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