SCHEMBL8220839

SCHEMBL8220839

CC1CCC(=O)N1CCN(Cc1ccccc1)C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 17/20 0.57
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL8220989 0.87 THRB (0.54) THRB
SCHEMBL5349709 0.87 THRB (0.60) THRB
SCHEMBL8229321 0.85 THRB (0.54) THRBHDAC1HDAC6NPC1
SCHEMBL8226029 0.82 THRB (0.53) THRBHDAC1HDAC6NPC1
SCHEMBL8219815 0.81 THRB (0.61) THRBHDAC1HDAC6NPC1
SCHEMBL8226265 0.81 THRB (0.56) THRBHDAC1HDAC6NPC1
SCHEMBL8231029 0.80 THRB (0.54) THRBHDAC1HDAC6NPC1
SCHEMBL8220847 0.80 THRB (0.54) THRBHDAC1HDAC6NPC1
SCHEMBL8229336 0.80 THRB (0.55) THRBHDAC1HDAC6NPC1
SCHEMBL8229319 0.78 THRB (0.55) THRBHDAC1HDAC6NPC1

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-2007140982-A1 SUBSTITUTED BENZOXAZOLES BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed