SCHEMBL7090486

SCHEMBL7090486

[O]c1cc(Br)c(Oc2ccc3[nH]cc(CC4CCC4)c3c2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.41
THRB P10828 7/20 0.41
SLC6A4 P31645 2/20 0.41
HTR1A P08908 4/20 0.39
HTR1B P28222 4/20 0.39
HTR1D P28221 2/20 0.39
MAPK1 P28482 1/20 0.38
HTR6 P50406 2/20 0.37
ALOX5 P09917 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 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
SCHEMBL7084186 0.98 SLC6A4 (0.41) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7089759 0.97 HTR1A (0.42) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7093352 0.96 SLC6A4 (0.42) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7085516 0.93 THRA (0.46) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7091976 0.91 THRA (0.46) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7084920 0.90 HTR1A (0.45) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7090308 0.89 THRA (0.41) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL6516373 0.86 THRB (0.57) THRATHRB
SCHEMBL6517223 0.85 THRA (0.46) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7090640 0.85 SLC6A4 (0.41) THRATHRBSLC6A4HTR1AHTR1B

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