SCHEMBL16457019

SCHEMBL16457019

CNCCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.77
ROCK1 Q13464 2/20 0.72

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
SCHEMBL1105010 1.00 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL111949 0.85 ROCK2 (0.80) ROCK2ROCK1
SCHEMBL21514529 0.84 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL21514522 0.84 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL2775991 0.84 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL15047834 0.83 ROCK2 (0.74) ROCK2ROCK1
Hydrochloric Acid SCHEMBL31651002 0.83 ROCK2 (0.98) ROCK2ROCK1
SCHEMBL2776982 0.83 ROCK2 (0.72) ROCK2ROCK1
Hydrochloric Acid SCHEMBL2780306 0.82 ROCK2 (0.71) ROCK2ROCK1
SCHEMBL112543 0.81 ROCK2 (0.72) ROCK2ROCK1

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-2326623-B1 BETA-AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS AERIE PHARMACEUTICALS INC (US) 2014-04-16 EP disclosed