SCHEMBL6131994

SCHEMBL6131994

C#CCOC(c1ccccc1)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 4/20 0.40
HTR2A P28223 3/20 0.40
HRH1 P35367 3/20 0.40
TSHR P16473 3/20 0.40
CYP1A2 P05177 3/20 0.40
ADRA2A P08913 2/20 0.40
CYP2D6 P10635 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA1A P35348 2/20 0.40
OPRK1 P41145 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL10346414 0.76 CYP1A2 (0.38) MEN1KMT2ALMNAHTR2AHRH1
SCHEMBL27675472 0.76 TSHR (0.39) MEN1KMT2ALMNAHTR2AHRH1
SCHEMBL17288627 0.75 MEN1 (0.51) MEN1KMT2ALMNAHTR2AHRH1
SCHEMBL6455092 0.75 NPC1 (0.38) MEN1KMT2ALMNAHTR2AHRH1
SCHEMBL28821628 0.73 KMT2A (0.36) MEN1KMT2ALMNAHTR2AHRH1
SCHEMBL27259770 0.73 TAAR1 (0.41) MEN1KMT2ALMNAHTR2ATSHR
SCHEMBL4538293 0.72 KDM4E (0.45) MEN1KMT2ALMNAHTR2AHRH1
SCHEMBL8749377 0.72 NPC1 (0.40) MEN1KMT2ALMNATSHRCYP1A2
SCHEMBL27811527 0.72 TRPA1 (0.38) MEN1KMT2ALMNAHTR2AHRH1
SCHEMBL27811270 0.72 MEN1 (0.38) MEN1KMT2ALMNAHTR2AHRH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP claimed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP claimed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO claimed