SCHEMBL7093058

SCHEMBL7093058

Cc1c[c]cc(C(F)(F)F)c1Oc1ccc2[nH]cc(CC3CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.41
THRB P10828 7/20 0.41
SLC6A4 P31645 2/20 0.40
HTR1A P08908 4/20 0.39
HTR1B P28222 4/20 0.39
MAPK1 P28482 1/20 0.39
HTR6 P50406 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
HTR1D P28221 2/20 0.36
HTR2B P41595 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL7090894 0.96 THRA (0.41) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7089629 0.95 HTR1B (0.42) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7087920 0.89 HTR1A (0.44) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7087438 0.88 SLC6A4 (0.42) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7088380 0.88 SLC6A4 (0.40) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7090859 0.88 HTR1A (0.45) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7088304 0.84 SLC6A4 (0.39) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7090640 0.84 SLC6A4 (0.41) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7088286 0.84 HTR1A (0.41) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7084348 0.84 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