SCHEMBL9016244

SCHEMBL9016244

COc1ccc(CCN(CCc2ccccc2)CC(O)COc2cccc(C)c2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.63
ADRB1 P08588 1/20 0.63
HTR1A P08908 1/20 0.63
ADRA2C P18825 1/20 0.63
SLC6A4 P31645 1/20 0.63
ADRA1A P35348 1/20 0.63
HTR2B P41595 1/20 0.63
SLC6A3 Q01959 1/20 0.63
KCNH2 Q12809 1/20 0.63
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
EBP Q15125 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ATM Q13315 1/20 0.47

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
SCHEMBL9016222 0.94 KCNH2 (0.61) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL9016229 0.89 HTR2B (0.60) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL9016250 0.89 KCNH2 (0.59) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL9016252 0.88 KCNH2 (0.61) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL9016221 0.87 KCNH2 (0.57) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL9016234 0.87 HTR2B (0.57) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL9016231 0.87 MEN1 (0.66) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL9016210 0.87 KCNH2 (0.59) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL9016253 0.87 KCNH2 (0.59) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL9016211 0.86 KCNH2 (0.56) ADRB2ADRB1HTR1AADRA2CSLC6A4

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
US-5482964-A ANTIEPILEPTIC WARNER-LAMBERT COMPANY (US) 1996-01-09 US disclosed