SCHEMBL24247767

SCHEMBL24247767

CCC(C)C(=O)c1cnn2c(C3CC3)c(OCCC(F)(F)F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 2/20 0.41
▸ ROCK2 O75116 18/20 0.39

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
SCHEMBL20646828 0.91 ROCK2 (0.40) PLATROCK2
SCHEMBL21947213 0.86 PLAT (0.39) PLATROCK2
SCHEMBL23889037 0.86 ROCK2 (0.41) PLATROCK2
SCHEMBL19128592 0.85 ROCK2 (0.41) PLATROCK2
SCHEMBL19127952 0.84 SPR (0.43) PLATROCK2
SCHEMBL20647184 0.84 PLAT (0.38) PLATROCK2
SCHEMBL23889174 0.81 ROCK2 (0.40) ROCK2
SCHEMBL20646831 0.79 ROCK2 (0.39) ROCK2
SCHEMBL19150308 0.77 ROCK2 (0.33) PLATROCK2
SCHEMBL20647137 0.76 ROCK2 (0.40) 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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