SCHEMBL8810366

SCHEMBL8810366

Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3cn[nH]c3)cc2)C2CCCCCC2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.55
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CTNNB1 P35222 16/20 0.43
BCL9 O00512 14/20 0.43
ROCK1 Q13464 1/20 0.41

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
SCHEMBL8809258 0.90 ROCK2 (0.57) ROCK2GAANPSR1CTNNB1BCL9
SCHEMBL8809779 0.87 GAA (0.52) GAANPSR1
SCHEMBL9056936 0.85 GAA (0.50) GAANPSR1
SCHEMBL8814244 0.85 GAA (0.44) ROCK2GAANPSR1
SCHEMBL8807180 0.84 GAA (0.49) GAANPSR1
SCHEMBL8817749 0.84 NPSR1 (0.49) GAANPSR1
SCHEMBL8808422 0.84 TP53 (0.52) GAANPSR1
SCHEMBL9057638 0.84 GAA (0.43) ROCK2GAANPSR1
SCHEMBL8809768 0.83 GAA (0.48) GAANPSR1
SCHEMBL8807213 0.83 USP2 (0.45) ROCK2GAANPSR1

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-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed