SCHEMBL5322895

SCHEMBL5322895

O=C1CN(c2cc(Cl)c(Oc3ccc(O)c(C(=O)c4ccc(Cl)s4)c3)c(Cl)c2)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 17/20 0.40
THRA P10827 8/20 0.40
F10 P00742 1/20 0.32

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
SCHEMBL5398709 0.83 THRB (0.42) THRBTHRA
SCHEMBL5415371 0.82 THRB (0.45) THRBTHRA
SCHEMBL5322901 0.81 THRB (0.40) THRBTHRAF10
SCHEMBL5437353 0.81 THRB (0.40) THRBTHRA
SCHEMBL5327228 0.81 THRB (0.42) THRBTHRAF10
SCHEMBL5327188 0.80 THRB (0.39) THRBTHRA
SCHEMBL5332095 0.79 THRB (0.63) THRBTHRA
SCHEMBL5326879 0.79 TOP2A (0.39) THRBTHRA
SCHEMBL5327217 0.77 THRB (0.53) THRBTHRA
SCHEMBL5329530 0.77 THRB (0.43) THRBTHRA

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 disclosed