SCHEMBL7091976

SCHEMBL7091976

[O]c1cc(C(F)(F)F)c(Oc2ccc3[nH]cc(CC4CCCC4)c3c2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.46
THRB P10828 7/20 0.46
HTR1A P08908 4/20 0.44
HTR1B P28222 4/20 0.44
HTR1D P28221 2/20 0.44
SLC6A4 P31645 2/20 0.42
HTR6 P50406 2/20 0.41
MAPK1 P28482 1/20 0.41
ALOX5 P09917 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL7084920 0.99 HTR1A (0.45) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL7085516 0.98 THRA (0.46) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL7084186 0.93 SLC6A4 (0.41) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL7089759 0.92 HTR1A (0.42) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL7090308 0.91 THRA (0.41) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL7090486 0.91 THRA (0.41) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL7093352 0.89 SLC6A4 (0.42) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL7090048 0.89 THRA (0.41) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL7085214 0.89 THRA (0.44) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL7086371 0.88 HTR1A (0.48) THRATHRBHTR1AHTR1BHTR1D

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