SCHEMBL1497138

SCHEMBL1497138

CN(C)CCC(NC(=O)Nc1cccc(CO)c1)c1ccc(C(=O)Nc2cscc2N)nc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 19/20 0.46
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 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
SCHEMBL1496979 0.90 UTS2R (0.47) UTS2RROCK2ROCK1
SCHEMBL1496896 0.90 UTS2R (0.47) UTS2RROCK2ROCK1
SCHEMBL1497004 0.88 UTS2R (0.62) UTS2RROCK2ROCK1
SCHEMBL1497151 0.86 UTS2R (0.42) UTS2RROCK2ROCK1
SCHEMBL1482305 0.86 UTS2R (0.43) UTS2RROCK2ROCK1
SCHEMBL1497089 0.86 UTS2R (0.42) UTS2RROCK2ROCK1
SCHEMBL1497122 0.85 UTS2R (0.42) UTS2RROCK1
SCHEMBL1496973 0.84 UTS2R (0.47) UTS2RROCK2ROCK1
SCHEMBL1496901 0.84 UTS2R (0.45) UTS2RROCK2ROCK1
SCHEMBL1497187 0.84 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed