SCHEMBL8222747

SCHEMBL8222747

CN1CCCCC1CN(C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 19/20 0.56
HDAC1 Q13547 1/20 0.42

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
SCHEMBL8220867 0.89 THRB (0.61) THRB
SCHEMBL8228140 0.88 THRB (0.71) THRBHDAC1
SCHEMBL5356583 0.88 THRB (0.60) THRB
SCHEMBL8226055 0.86 THRB (0.65) THRB
SCHEMBL8225187 0.85 THRB (0.59) THRBHDAC1
SCHEMBL8225252 0.85 THRB (0.55) THRBHDAC1
SCHEMBL8227232 0.85 THRB (0.58) THRB
SCHEMBL5362186 0.85 THRB (0.56) THRB
SCHEMBL8229534 0.85 THRB (0.68) THRBHDAC1
SCHEMBL8228557 0.84 THRB (0.58) 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