SCHEMBL8228481

SCHEMBL8228481

CC(C)CN(C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 17/20 0.58
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.42
HSD11B1 P28845 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
SCHEMBL8227347 0.94 THRB (0.58) THRBHDAC1
SCHEMBL5363388 0.91 THRB (0.58) THRBHDAC1HSD11B1
SCHEMBL8225187 0.89 THRB (0.59) THRBHDAC1HSD11B1
SCHEMBL8229632 0.88 THRB (0.55) THRBSLC6A2SLC6A4SLC6A3HDAC1
SCHEMBL8228557 0.88 THRB (0.58) THRBHDAC1
SCHEMBL8220856 0.88 THRB (0.62) THRBHDAC1HSD11B1
SCHEMBL8225963 0.87 THRB (0.58) THRBHDAC1HSD11B1
SCHEMBL8225995 0.87 THRB (0.62) THRBHDAC1HSD11B1
SCHEMBL5364060 0.87 THRB (0.60) THRBHDAC1HSD11B1
SCHEMBL8228162 0.87 THRB (0.57) THRBHDAC1HSD11B1

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