SCHEMBL24247696

SCHEMBL24247696

CC(F)(F)COc1ccc2c(C(=O)N[C@H]3CC[C@@]4(Oc5ncccc5C(N)=O)CC4C3)cnn2c1Br

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.44

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
SCHEMBL20647103 0.83 ROCK2 (0.49) ROCK2
SCHEMBL20646972 0.83 ROCK2 (0.59) ROCK2
SCHEMBL21948609 0.81 ROCK2 (0.45) ROCK2
SCHEMBL23889137 0.76 ROCK2 (0.38) ROCK2
SCHEMBL20647072 0.74 ROCK2 (0.60) ROCK2
SCHEMBL23889198 0.72 ROCK2 (0.40) ROCK2
SCHEMBL20647109 0.71 ROCK2 (0.46) ROCK2
SCHEMBL21947251 0.71 ROCK2 (0.72) ROCK2
SCHEMBL20646744 0.70 ROCK2 (0.60) ROCK2
SCHEMBL20647057 0.69 ROCK2 (0.82) 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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