SCHEMBL8230282

SCHEMBL8230282

CCCN(CC1CCCNC1)C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 17/20 0.75
HDAC1 Q13547 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
SCHEMBL8228230 0.87 THRB (0.56) THRBHDAC1
SCHEMBL5368006 0.86 THRB (1.00) THRBHDAC1
SCHEMBL8228464 0.84 THRB (0.71) THRBHDAC1
SCHEMBL8219764 0.84 THRB (0.75) THRB
SCHEMBL8220883 0.84 THRB (0.75) THRB
SCHEMBL5355129 0.83 THRB (0.57) THRBHDAC1
SCHEMBL8229477 0.83 THRB (0.71) THRB
SCHEMBL8228140 0.83 THRB (0.71) THRBHDAC1
SCHEMBL8226143 0.82 THRB (0.68) THRB
SCHEMBL8230284 0.80 THRB (0.56) THRBHDAC1

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