SCHEMBL6032749

SCHEMBL6032749

Nc1ccc(-c2cnn(Cc3cccc(C(=O)Nc4nc5c(s4)C[C@@H](N4CCOCC4)CC5)c3)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.63

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
SCHEMBL2713355 0.92 ROCK2 (0.64) ROCK2
SCHEMBL13387553 0.92 ROCK2 (0.64) ROCK2
SCHEMBL6033000 0.89 ROCK2 (0.50) ROCK2
SCHEMBL6033337 0.88 ROCK2 (0.61) ROCK2
SCHEMBL6031656 0.86 ROCK2 (0.47) ROCK2
SCHEMBL6033639 0.86 ROCK2 (0.61) ROCK2
SCHEMBL6030099 0.86 ROCK2 (0.56) ROCK2
SCHEMBL2710890 0.85 ROCK2 (0.63) ROCK2
SCHEMBL2711875 0.85 ROCK2 (0.57) ROCK2
SCHEMBL13387369 0.85 ROCK2 (0.57) 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