SCHEMBL7087438

SCHEMBL7087438

FC(F)(F)c1c[c]cc(Br)c1Oc1ccc2[nH]cc(CC3CC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.42
MAPK1 P28482 1/20 0.39
THRA P10827 6/20 0.38
THRB P10828 6/20 0.38
HTR1A P08908 5/20 0.37
HTR1B P28222 4/20 0.37
HTR1D P28221 2/20 0.36
HTR6 P50406 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
GPR84 Q9NQS5 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
SCHEMBL7090640 0.96 SLC6A4 (0.41) SLC6A4MAPK1THRATHRBHTR1A
SCHEMBL7084348 0.96 SLC6A4 (0.41) SLC6A4MAPK1THRATHRBHTR1A
SCHEMBL7087920 0.89 HTR1A (0.44) SLC6A4MAPK1THRATHRBHTR1A
SCHEMBL7093058 0.88 THRA (0.41) SLC6A4MAPK1THRATHRBHTR1A
SCHEMBL7088380 0.88 SLC6A4 (0.40) SLC6A4MAPK1THRATHRBHTR1A
SCHEMBL7090859 0.88 HTR1A (0.45) SLC6A4MAPK1THRATHRBHTR1A
SCHEMBL7088304 0.84 SLC6A4 (0.39) SLC6A4MAPK1THRATHRBHTR1A
SCHEMBL7088286 0.84 HTR1A (0.41) SLC6A4MAPK1THRATHRBHTR1A
SCHEMBL7090894 0.84 THRA (0.41) SLC6A4MAPK1THRATHRBHTR1A
SCHEMBL7093352 0.84 SLC6A4 (0.42) SLC6A4MAPK1THRATHRBHTR1A

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