SCHEMBL7090894

SCHEMBL7090894

Cc1c[c]cc(C(F)(F)F)c1Oc1ccc2[nH]cc(CC3CCC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.41
THRB P10828 7/20 0.41
HTR1B P28222 4/20 0.40
HTR1A P08908 3/20 0.40
SLC6A4 P31645 2/20 0.39
HTR1D P28221 2/20 0.39
HTR6 P50406 1/20 0.39
MAPK1 P28482 1/20 0.38
ALOX5 P09917 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
GPR84 Q9NQS5 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
SCHEMBL7089629 0.97 HTR1B (0.42) THRATHRBHTR1BHTR1ASLC6A4
SCHEMBL7093058 0.96 THRA (0.41) THRATHRBHTR1BHTR1ASLC6A4
SCHEMBL7087920 0.91 HTR1A (0.44) THRATHRBHTR1BHTR1ASLC6A4
SCHEMBL7090859 0.90 HTR1A (0.45) THRATHRBHTR1BHTR1ASLC6A4
SCHEMBL7088304 0.89 SLC6A4 (0.39) THRATHRBHTR1BHTR1ASLC6A4
SCHEMBL7090640 0.89 SLC6A4 (0.41) THRATHRBHTR1BHTR1ASLC6A4
SCHEMBL7088286 0.86 HTR1A (0.41) THRATHRBHTR1BHTR1ASLC6A4
SCHEMBL7084348 0.86 SLC6A4 (0.41) THRATHRBHTR1BHTR1ASLC6A4
SCHEMBL7088380 0.84 SLC6A4 (0.40) THRATHRBHTR1BHTR1ASLC6A4
SCHEMBL7087438 0.84 SLC6A4 (0.42) THRATHRBHTR1BHTR1ASLC6A4

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