SCHEMBL23889123

SCHEMBL23889123

CC(C)(O)COc1ccc2c(C(=O)N[C@H]3CC[C@H](Oc4cc(Br)ccc4C(N)=O)CC3)cnn2c1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.60

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
SCHEMBL23888954 1.00 ROCK2 (0.60) ROCK2
SCHEMBL20646778 0.92 ROCK2 (0.59) ROCK2
SCHEMBL20646763 0.92 ROCK2 (0.59) ROCK2
SCHEMBL20647020 0.92 ROCK2 (0.60) ROCK2
SCHEMBL19128206 0.91 ROCK2 (0.72) ROCK2
SCHEMBL20647046 0.91 ROCK2 (0.58) ROCK2
SCHEMBL20646943 0.90 ROCK2 (0.57) ROCK2
SCHEMBL20646938 0.90 ROCK2 (0.57) ROCK2
SCHEMBL20646739 0.90 ROCK2 (0.58) ROCK2
SCHEMBL20646897 0.90 ROCK2 (0.58) 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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