SCHEMBL8228552

SCHEMBL8228552

CC(C)N(CCCN1CCCC1)C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 16/20 0.55
WDR5 P61964 1/20 0.44
MC4R P32245 1/20 0.43
HDAC1 Q13547 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 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
SCHEMBL8228641 0.99 THRB (0.54) THRBWDR5MC4RHDAC1HTR1A
SCHEMBL8228577 0.88 THRB (0.65) THRBMC4RHDAC1HTR1ADRD2
SCHEMBL8220990 0.87 THRB (0.57) THRBWDR5HDAC1
SCHEMBL8229336 0.86 THRB (0.55) THRBMC4RHDAC1
SCHEMBL8225252 0.85 THRB (0.55) THRBHDAC1
SCHEMBL8228692 0.84 THRB (0.66) THRBHDAC1HTR1ADRD2HTR2A
SCHEMBL8227623 0.82 THRB (0.68) THRB
SCHEMBL8229338 0.81 THRB (0.62) THRB
SCHEMBL8225456 0.79 THRB (0.70) THRB
SCHEMBL8219823 0.77 THRB (0.63) 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