SCHEMBL8227364

SCHEMBL8227364

CC(C)C(C)N(CC1CCOC1)C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 16/20 0.75
RXFP1 Q9HBX9 1/20 0.41
HDAC1 Q13547 1/20 0.40
WDR5 P61964 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
SCHEMBL8225969 0.91 THRB (0.77) THRBRXFP1HDAC1
SCHEMBL8229324 0.91 THRB (0.77) THRBRXFP1
SCHEMBL5368006 0.86 THRB (1.00) THRBRXFP1HDAC1
SCHEMBL8228589 0.85 THRB (0.75) THRBRXFP1HDAC1
SCHEMBL8225984 0.81 THRB (0.69) THRBRXFP1HDAC1
SCHEMBL8229534 0.80 THRB (0.68) THRBRXFP1HDAC1
SCHEMBL8228464 0.78 THRB (0.71) THRBHDAC1
SCHEMBL8220990 0.77 THRB (0.57) THRBHDAC1WDR5
SCHEMBL8219823 0.77 THRB (0.63) THRBHDAC1
SCHEMBL8220856 0.76 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