SCHEMBL5332095

SCHEMBL5332095

O=C1CN(c2cc(Cl)c(Oc3ccc(O)c(C(=O)N4CCCCC4)c3)c(Cl)c2)C(=O)N1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 13/20 0.63
THRA P10827 3/20 0.63
HSP90AA1 P07900 3/20 0.43
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.36
PARP1 P09874 1/20 0.35

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
SCHEMBL5330286 0.88 THRB (0.49) THRBTHRAALDH1A1GAAHPGD
SCHEMBL5327228 0.82 THRB (0.42) THRBTHRA
SCHEMBL5331464 0.81 THRB (0.62) THRBTHRAALDH1A1
SCHEMBL5398709 0.81 THRB (0.42) THRBTHRAALDH1A1
SCHEMBL5324532 0.81 THRB (0.65) THRBTHRAALDH1A1HPGD
SCHEMBL5415371 0.80 THRB (0.45) THRBTHRAALDH1A1
SCHEMBL5437353 0.79 THRB (0.40) THRBTHRAALDH1A1
SCHEMBL5322895 0.79 THRB (0.40) THRBTHRA
SCHEMBL5329530 0.78 THRB (0.43) THRBTHRA
SCHEMBL23691219 0.77 THRB (0.75) THRBTHRAHSP90AA1

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-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 WO claimed