SCHEMBL7085216

SCHEMBL7085216

Cc1cc(O)cc(C(F)(F)F)c1Oc1ccc2[nH]cc(CC3CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.44
THRB P10828 8/20 0.44
SLC6A4 P31645 2/20 0.40
HTR6 P50406 1/20 0.40
HTR1A P08908 2/20 0.39
HTR1B P28222 2/20 0.39
MAPK1 P28482 1/20 0.39
GPR84 Q9NQS5 1/20 0.37
MTNR1A P48039 1/20 0.37
CYP2D6 P10635 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
SCHEMBL7085214 0.88 THRA (0.44) THRATHRBSLC6A4HTR6HTR1A
SCHEMBL7089914 0.86 THRA (0.47) THRATHRBHTR1AHTR1BMTNR1A
SCHEMBL6519382 0.85 THRA (0.61) THRATHRBMTNR1A
SCHEMBL6520487 0.84 THRA (0.49) THRATHRBHTR1AHTR1BMTNR1A
SCHEMBL6985820 0.84 THRA (0.46) THRATHRBSLC6A4HTR1AHTR1B
SCHEMBL7093058 0.84 THRA (0.41) THRATHRBSLC6A4HTR6HTR1A
SCHEMBL7087918 0.83 HTR1A (0.42) THRATHRBSLC6A4HTR6HTR1A
SCHEMBL7138821 0.82 HTR1D (0.42) THRATHRBHTR6HTR1BMTNR1A
SCHEMBL6520683 0.82 THRA (0.60) THRATHRBHTR6HTR1AHTR1B
SCHEMBL6518435 0.82 THRA (0.60) THRATHRBHTR6HTR1AHTR1B

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