SCHEMBL6032508

SCHEMBL6032508

Nc1ccc(-c2cnn(Cc3cccc(C(=O)Nc4nc5c(s4)C[C@@H](N(CCC(F)(F)F)CCC(F)(F)F)CC5)c3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.49

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
SCHEMBL6032780 0.93 ROCK2 (0.52) ROCK2
SCHEMBL2713203 0.92 ROCK2 (0.55) ROCK2
SCHEMBL13387435 0.92 ROCK2 (0.55) ROCK2
SCHEMBL6032360 0.88 ROCK2 (0.57) ROCK2
SCHEMBL6032213 0.88 ROCK2 (0.55) ROCK2
SCHEMBL6031214 0.87 ROCK2 (0.52) ROCK2
SCHEMBL6032459 0.87 ROCK2 (0.53) ROCK2
SCHEMBL2710903 0.85 ROCK2 (0.55) ROCK2
SCHEMBL13387396 0.85 ROCK2 (0.55) ROCK2
SCHEMBL6033147 0.83 ROCK2 (0.55) 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
WO-2012054367-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 — — WO disclosed
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