SCHEMBL7090640

SCHEMBL7090640

FC(F)(F)c1c[c]cc(Br)c1Oc1ccc2[nH]cc(CC3CCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
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
THRA P10827 5/20 0.38
THRB P10828 5/20 0.38
HTR6 P50406 3/20 0.37
ALOX5 P09917 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL7084348 0.98 SLC6A4 (0.41) SLC6A4HTR1AHTR1BHTR1DMAPK1
SCHEMBL7087438 0.96 SLC6A4 (0.42) SLC6A4HTR1AHTR1BHTR1DMAPK1
SCHEMBL7087920 0.91 HTR1A (0.44) SLC6A4HTR1AHTR1BHTR1DMAPK1
SCHEMBL7090859 0.90 HTR1A (0.45) SLC6A4HTR1AHTR1BHTR1DMAPK1
SCHEMBL7090894 0.89 THRA (0.41) SLC6A4HTR1AHTR1BHTR1DMAPK1
SCHEMBL7088304 0.89 SLC6A4 (0.39) SLC6A4HTR1AHTR1BHTR1DMAPK1
SCHEMBL7088286 0.86 HTR1A (0.41) SLC6A4HTR1AHTR1BHTR1DMAPK1
SCHEMBL7089629 0.86 HTR1B (0.42) SLC6A4HTR1AHTR1BHTR1DMAPK1
SCHEMBL7090486 0.85 THRA (0.41) SLC6A4HTR1AHTR1BHTR1DMAPK1
SCHEMBL7088380 0.84 SLC6A4 (0.40) SLC6A4HTR1AHTR1BHTR1DMAPK1

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