SCHEMBL30438695

SCHEMBL30438695

COc1nccc2c(S(=O)(=O)N3CCCNCC3CCC(C)C)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 7/20 0.41
▸ PRKCD Q05655 6/20 0.41
▸ ROCK2 O75116 6/20 0.41
▸ PRKCE Q02156 4/20 0.41
▸ PRKD1 Q15139 4/20 0.41
▸ PRKX P51817 3/20 0.41
▸ PRKACA P17612 5/20 0.38
▸ PRKD3 O94806 4/20 0.38
▸ PRKACG P22612 4/20 0.38
▸ PRKACB P22694 4/20 0.38
▸ PRKCZ Q05513 4/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ CYP2D6 P10635 4/20 0.38
▸ PRKCG P05129 3/20 0.38
▸ PRKCB P05771 3/20 0.38
▸ PRKCA P17252 3/20 0.38
▸ PRKCH P24723 3/20 0.38
▸ PRKCI P41743 3/20 0.38
▸ PRKCQ Q04759 3/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL23795329 1.00 ROCK1 (0.41) ROCK1PRKCDROCK2PRKCEPRKD1
SCHEMBL23795358 1.00 ROCK1 (0.41) ROCK1PRKCDROCK2PRKCEPRKD1
SCHEMBL30439350 0.89 ROCK1 (0.42) ROCK1PRKCDROCK2PRKCEPRKD1
SCHEMBL30439456 0.89 ROCK1 (0.42) ROCK1PRKCDROCK2PRKCEPRKD1
SCHEMBL23795330 0.89 ROCK1 (0.42) ROCK1PRKCDROCK2PRKCEPRKD1
SCHEMBL23795312 0.89 ROCK1 (0.42) ROCK1PRKCDROCK2PRKCEPRKD1
SCHEMBL30439464 0.88 ROCK1 (0.45) ROCK1PRKCDROCK2PRKCEPRKD1
SCHEMBL23795370 0.88 ROCK1 (0.45) ROCK1PRKCDROCK2PRKCEPRKD1
SCHEMBL23795372 0.88 ROCK1 (0.45) ROCK1PRKCDROCK2PRKCEPRKD1
SCHEMBL30439073 0.88 ROCK1 (0.45) ROCK1PRKCDROCK2PRKCEPRKD1

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
CN-111116555-B Rho kinase inhibitor and preparation method and application thereof 北京盈科瑞创新药物研究有限公司 2023-06-02 — — CN disclosed
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