SCHEMBL4377779

SCHEMBL4377779

CN(C)CCCC(NC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 18/20 0.52
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 1/20 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
SCHEMBL3227213 0.92 UTS2R (0.51) UTS2RROCK2ROCK1
SCHEMBL3227897 0.91 UTS2R (0.52) UTS2RROCK2ROCK1
SCHEMBL3233601 0.90 UTS2R (0.42) UTS2RROCK2ROCK1
SCHEMBL3223876 0.89 UTS2R (0.44) UTS2RROCK2ROCK1
SCHEMBL3222714 0.88 UTS2R (0.39) UTS2RROCK2ROCK1
SCHEMBL3234631 0.88 NAMPT (0.42) UTS2RROCK2ROCK1
SCHEMBL3234013 0.88 UTS2R (0.43) UTS2RROCK2ROCK1
SCHEMBL3226314 0.87 UTS2R (0.42) UTS2RROCK2ROCK1
SCHEMBL3230143 0.87 UTS2R (0.40) UTS2RROCK2ROCK1
SCHEMBL3227966 0.87 UTS2R (0.42) UTS2RROCK2ROCK1

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-2135620-A1 OCULAR HYPOTENSIVE AGENT COMPRISING COMPOUND CAPABLE OF INHIBITING HISTONE DEACETYLASE AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2009-12-23 EP disclosed