SCHEMBL7090048

SCHEMBL7090048

[O]c1cc(Cl)c(Oc2ccc3[nH]cc(CC4CC4)c3c2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.41
THRB P10828 7/20 0.41
SLC6A4 P31645 3/20 0.40
MAPK1 P28482 1/20 0.39
HTR1A P08908 4/20 0.37
HTR1B P28222 4/20 0.37
HTR1D P28221 2/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL7090308 0.96 THRA (0.41) THRATHRBSLC6A4MAPK1HTR1A
SCHEMBL7085516 0.89 THRA (0.46) THRATHRBSLC6A4MAPK1HTR1A
SCHEMBL7091976 0.89 THRA (0.46) THRATHRBSLC6A4MAPK1HTR1A
SCHEMBL7085214 0.88 THRA (0.44) THRATHRBSLC6A4MAPK1HTR1A
SCHEMBL7093352 0.88 SLC6A4 (0.42) THRATHRBSLC6A4MAPK1HTR1A
SCHEMBL7084920 0.88 HTR1A (0.45) THRATHRBSLC6A4MAPK1HTR1A
SCHEMBL6516639 0.85 THRB (0.59) THRATHRB
SCHEMBL7084186 0.84 SLC6A4 (0.41) THRATHRBSLC6A4MAPK1HTR1A
SCHEMBL7090486 0.84 THRA (0.41) THRATHRBSLC6A4MAPK1HTR1A
SCHEMBL6516617 0.84 THRA (0.47) THRATHRBSLC6A4MAPK1HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed