SCHEMBL23889098

SCHEMBL23889098

CCC(=O)c1cnn2cc(OC3CC(F)(F)C3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 17/20 0.41
▸ CACNA1H O95180 3/20 0.38

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
SCHEMBL20229850 0.89 HRH3 (0.38) ROCK2
SCHEMBL17454418 0.89 ROCK2 (0.41) ROCK2CACNA1H
SCHEMBL17452669 0.85 ROCK2 (0.41) ROCK2CACNA1H
SCHEMBL17437924 0.85 ROCK2 (0.42) ROCK2CACNA1H
SCHEMBL23889073 0.85 PARP10 (0.38) ROCK2
SCHEMBL21947212 0.83 ROCK2 (0.39) ROCK2CACNA1H
SCHEMBL20229842 0.82 ROCK2 (0.38) ROCK2
SCHEMBL21947217 0.81 CYP1A2 (0.39) ROCK2
SCHEMBL19902548 0.81 PDE4D (0.39) ROCK2
SCHEMBL19997307 0.78 MEN1 (0.43) 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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