SCHEMBL11270890

SCHEMBL11270890

COC(OC)N(C)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2A P28223 1/20 0.55
SLC6A4 P31645 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRK1 P41145 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KCNH2 Q12809 1/20 0.55
TSHR P16473 4/20 0.52
ALDH1A1 P00352 3/20 0.52
AOC3 Q16853 1/20 0.48
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 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
SCHEMBL615515 0.82 ADRA2B (0.58) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL24254972 0.81 TSHR (0.48) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL8805158 0.80 SIGMAR1 (0.58) SLC6A2SLC6A4SLC6A3AOC3KDM4E
SCHEMBL5564359 0.79 ADRA2B (0.55) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL5569486 0.76 ADRA2B (0.51) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL5569488 0.76 ADRA2B (0.51) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL530326 0.76 ADRA2B (0.67) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL6686136 0.74 HTR2A (0.50) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL17138279 0.73 L3MBTL1 (0.44) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL1199675 0.73 ADRA2B (0.45) ADRA2BADRA2CSLC6A2HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049683-A2 Imidazo-rifamycines, process for their preparation, pharmaceutical preparations containing them and their use CIBA-GEIGY AG (CH) 1982-04-14 EP disclosed