SCHEMBL8220871

SCHEMBL8220871

O=C(c1ccc2oc(NCc3cccc(Cl)c3)nc2c1)N(Cc1ccc(F)cc1)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.55
AGER Q15109 3/20 0.49
MTNR1A P48039 1/20 0.49
HDAC1 Q13547 1/20 0.44
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
RAB9A P51151 1/20 0.42
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
HCRTR1 O43613 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
SCHEMBL8228162 0.94 THRB (0.57) THRBAGERMTNR1AHDAC1HDAC6
SCHEMBL8228482 0.94 THRB (0.55) THRBAGERMTNR1AHDAC1SLC6A9
SCHEMBL8228557 0.94 THRB (0.58) THRBAGERMTNR1AHDAC1HDAC6
SCHEMBL8226057 0.90 THRB (0.52) THRBAGERMTNR1AHDAC1HDAC6
SCHEMBL8229490 0.88 THRB (0.55) THRBAGERHDAC1HDAC6
SCHEMBL8226117 0.87 THRB (0.55) THRBAGERHDAC1RAB9A
SCHEMBL8225187 0.86 THRB (0.59) THRBHDAC1SLC6A9SLC6A5HDAC6
SCHEMBL8228011 0.85 THRB (0.59) THRBAGERHDAC1HDAC6
SCHEMBL5363388 0.85 THRB (0.58) THRBHDAC1
SCHEMBL8225281 0.85 THRB (0.56) THRBHDAC1HDAC6

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