SCHEMBL8228482

SCHEMBL8228482

O=C(c1ccc2oc(NCc3cccc(Cl)c3)nc2c1)N(Cc1cccc(F)c1)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.55
AGER Q15109 3/20 0.43
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
MTNR1A P48039 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.42
OPRM1 P35372 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL8220871 0.94 THRB (0.55) THRBAGERSLC6A9SLC6A5MTNR1A
SCHEMBL8228557 0.92 THRB (0.58) THRBAGERMTNR1AHDAC1HDAC6
SCHEMBL8228162 0.91 THRB (0.57) THRBAGERMTNR1AHDAC1HDAC6
SCHEMBL8229490 0.88 THRB (0.55) THRBAGERHDAC1HDAC6
SCHEMBL8226117 0.88 THRB (0.55) THRBAGERHDAC1
SCHEMBL8226057 0.86 THRB (0.52) THRBAGERMTNR1AHDAC1HDAC6
SCHEMBL8225187 0.86 THRB (0.59) THRBSLC6A9SLC6A5HDAC1HDAC6
SCHEMBL8219823 0.86 THRB (0.63) THRBHDAC1HDAC6
SCHEMBL8228011 0.85 THRB (0.59) THRBAGERHDAC1HDAC6
SCHEMBL8220856 0.85 THRB (0.62) 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