SCHEMBL7058206

SCHEMBL7058206

Cc1cc([NH])cc(C)c1Oc1ccc(O)c(CN(Cc2ccc(F)cc2)C2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.47
THRA P10827 8/20 0.47
CYP2D6 P10635 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 2/20 0.36
TSHR P16473 1/20 0.36
MCHR1 Q99705 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
SCHEMBL7058208 0.91 THRB (0.44) THRBTHRACYP2D6CYP1A2CYP2C19
SCHEMBL7025989 0.85 THRA (0.49) THRBTHRAMEN1KMT2A
SCHEMBL7029599 0.76 THRB (0.51) THRBTHRA
SCHEMBL8801787 0.71 THRB (0.58) THRBTHRA
SCHEMBL6622195 0.70 THRB (0.69) THRBTHRA
SCHEMBL7058944 0.69 HPGD (0.43) THRBTHRAMEN1KMT2ALMNA
SCHEMBL5393859 0.67 THRB (0.66) THRBTHRA
SCHEMBL6622191 0.67 THRB (0.69) THRBTHRA
SCHEMBL8799407 0.67 THRA (0.56) THRBTHRAMEN1KMT2ALMNA
SCHEMBL23983024 0.65 THRA (0.60) THRBTHRA

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-1307426-A1 AMINO DIPHENYL ETHERS AND AMIDO DIPHENYL ETHERS Bayer Aktiengesellschaft (DE) 2003-05-07 EP disclosed
WO-2002012169-A1 AMINO DIPHENYL ETHERS AND AMIDO DIPHENYL ETHERS BAYER AKTIENGESELLSCHAFT (DE) 2002-02-14 WO disclosed