SCHEMBL7090859

SCHEMBL7090859

FC(F)(F)c1c[c]cc(C(F)(F)F)c1Oc1ccc2[nH]cc(CC3CCCCC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.45
HTR1B P28222 3/20 0.45
HTR1D P28221 1/20 0.45
HTR6 P50406 2/20 0.43
SLC6A4 P31645 2/20 0.41
MAPK1 P28482 1/20 0.41
THRA P10827 6/20 0.41
THRB P10828 6/20 0.41
BCHE P06276 2/20 0.38
S1PR1 P21453 1/20 0.37

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
SCHEMBL7087920 0.99 HTR1A (0.44) HTR1AHTR1BHTR1DHTR6SLC6A4
SCHEMBL7089629 0.93 HTR1B (0.42) HTR1AHTR1BHTR1DHTR6SLC6A4
SCHEMBL7088286 0.92 HTR1A (0.41) HTR1AHTR1BHTR1DHTR6SLC6A4
SCHEMBL7084348 0.92 SLC6A4 (0.41) HTR1AHTR1BHTR1DHTR6SLC6A4
SCHEMBL7090640 0.90 SLC6A4 (0.41) HTR1AHTR1BHTR1DHTR6SLC6A4
SCHEMBL7088304 0.90 SLC6A4 (0.39) HTR1AHTR1BHTR1DHTR6SLC6A4
SCHEMBL7090894 0.90 THRA (0.41) HTR1AHTR1BHTR1DHTR6SLC6A4
SCHEMBL7093058 0.88 THRA (0.41) HTR1AHTR1BHTR1DHTR6SLC6A4
SCHEMBL7088380 0.88 SLC6A4 (0.40) HTR1AHTR1BHTR1DHTR6SLC6A4
SCHEMBL7087438 0.88 SLC6A4 (0.42) HTR1AHTR1BHTR1DHTR6SLC6A4

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