SCHEMBL8230284

SCHEMBL8230284

O=C(c1ccc2oc(NCc3cccc(Cl)c3)nc2c1)N(CCC1CCNC1)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 13/20 0.56
MBTPS1 Q14703 2/20 0.41
HSD11B1 P28845 2/20 0.40
HDAC1 Q13547 1/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL5355129 0.93 THRB (0.57) THRBMBTPS1HDAC1SLC6A2SLC6A4
SCHEMBL8228230 0.89 THRB (0.56) THRBHSD11B1HDAC1
SCHEMBL8228011 0.85 THRB (0.59) THRBMBTPS1HSD11B1HDAC1
SCHEMBL8228557 0.84 THRB (0.58) THRBHDAC1
SCHEMBL8225249 0.83 THRB (0.57) THRBHSD11B1HDAC1
SCHEMBL8225963 0.83 THRB (0.58) THRBHSD11B1HDAC1
SCHEMBL8225995 0.83 THRB (0.62) THRBHSD11B1HDAC1
SCHEMBL8225187 0.83 THRB (0.59) THRBHSD11B1HDAC1
SCHEMBL8228162 0.83 THRB (0.57) THRBHSD11B1HDAC1
SCHEMBL8228559 0.83 THRB (0.56) THRBHSD11B1HDAC1

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