SCHEMBL6987620

SCHEMBL6987620

CCCc1c[nH]c2ccc(Oc3c(Br)cc(O)cc3C(F)(F)F)cc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.45
THRB P10828 7/20 0.45
HTR1A P08908 5/20 0.42
HTR1B P28222 5/20 0.42
HTR1D P28221 4/20 0.42
CYP2D6 P10635 1/20 0.42
HTR2A P28223 1/20 0.42
MTNR1A P48039 2/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL6983004 0.93 HTR1A (0.45) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL7089914 0.89 THRA (0.47) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6985214 0.85 CYP2D6 (0.45) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6512742 0.85 THRB (0.62) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6521693 0.84 THRA (0.50) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6985820 0.83 THRA (0.46) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL7085754 0.82 THRA (0.48) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6985253 0.81 HTR1A (0.45) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6513911 0.80 THRB (0.61) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL7090401 0.79 HTR1A (0.52) HTR1AHTR1BHTR1DCYP2D6HTR2A

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