SCHEMBL7089914

SCHEMBL7089914

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.47
THRB P10828 7/20 0.47
HTR1A P08908 4/20 0.43
HTR1B P28222 4/20 0.43
HTR1D P28221 4/20 0.43
CYP2D6 P10635 1/20 0.43
HTR2A P28223 1/20 0.42
MTNR1A P48039 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
TRPM8 Q7Z2W7 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
SCHEMBL6985820 0.94 THRA (0.46) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6987620 0.89 THRA (0.45) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL7089913 0.88 THRA (0.47) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL7085216 0.86 THRA (0.44) THRATHRBHTR1AHTR1BCYP2D6
SCHEMBL6523656 0.84 THRA (0.64) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6985214 0.84 CYP2D6 (0.45) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6516186 0.84 THRA (0.51) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL7085754 0.83 THRA (0.48) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6983004 0.82 HTR1A (0.45) THRATHRBHTR1AHTR1BHTR1D
SCHEMBL6985253 0.82 HTR1A (0.45) THRATHRBHTR1AHTR1BHTR1D

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