SCHEMBL23889153

SCHEMBL23889153

Cc1ccc(O)cc1OC1CC2(CC(NC(=O)c3cnn4cc(OCC(C)(C)O)ccc34)C2)C1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.68

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
SCHEMBL19128149 0.92 ROCK2 (0.72) ROCK2
SCHEMBL19151010 0.90 ROCK2 (0.69) ROCK2
SCHEMBL19128159 0.86 ROCK2 (0.74) ROCK2
SCHEMBL19128641 0.85 ROCK2 (0.73) ROCK2
SCHEMBL19127319 0.85 ROCK2 (0.65) ROCK2
SCHEMBL20638500 0.85 ROCK2 (0.66) ROCK2
SCHEMBL19128848 0.84 ROCK2 (0.72) ROCK2
SCHEMBL19128206 0.84 ROCK2 (0.72) ROCK2
SCHEMBL24247793 0.84 ROCK2 (0.66) ROCK2
SCHEMBL20646740 0.84 ROCK2 (0.72) 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-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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