SCHEMBL19128575

SCHEMBL19128575

CCc1ccc(C(N)=O)c(OC2CC3(CC(NC(=O)c4cnn5c(C6CC6)c(OCC(C)(C)O)ccc45)C3)C2)c1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.75

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
SCHEMBL19127959 0.92 ROCK2 (0.77) ROCK2
SCHEMBL19128890 0.92 ROCK2 (0.79) ROCK2
SCHEMBL19128507 0.91 ROCK2 (0.74) ROCK2
SCHEMBL19128682 0.90 ROCK2 (0.75) ROCK2
SCHEMBL19127367 0.90 ROCK2 (0.70) ROCK2
SCHEMBL19150730 0.90 ROCK2 (0.79) ROCK2
SCHEMBL19127930 0.89 ROCK2 (0.79) ROCK2
SCHEMBL19128374 0.89 ROCK2 (0.69) ROCK2
SCHEMBL19127357 0.88 ROCK2 (0.78) ROCK2
SCHEMBL19128376 0.88 ROCK2 (0.75) 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-3402790-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2018-11-21 — — EP disclosed
WO-2017123860-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-20 — — WO disclosed
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