SCHEMBL9016231

SCHEMBL9016231

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
ADRB2 P07550 2/20 0.66
ADRB1 P08588 2/20 0.66
HTR1A P08908 1/20 0.66
ADRA2C P18825 1/20 0.66
SLC6A4 P31645 1/20 0.66
ADRA1A P35348 1/20 0.66
HTR2B P41595 1/20 0.66
SLC6A3 Q01959 1/20 0.66
KCNH2 Q12809 1/20 0.66
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
BLM P54132 2/20 0.51
PMP22 Q01453 1/20 0.51
POLB P06746 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
SCHEMBL9016244 0.87 ADRB2 (0.63) MEN1KMT2AADRB2ADRB1HTR1A
SCHEMBL9016222 0.85 KCNH2 (0.61) MEN1KMT2AADRB2ADRB1HTR1A
SCHEMBL9016252 0.85 KCNH2 (0.61) MEN1KMT2AADRB2ADRB1HTR1A
SCHEMBL9016229 0.84 HTR2B (0.60) MEN1KMT2AADRB2ADRB1HTR1A
SCHEMBL9016210 0.83 KCNH2 (0.59) MEN1KMT2AADRB2ADRB1HTR1A
SCHEMBL9016253 0.83 KCNH2 (0.59) MEN1KMT2AADRB2ADRB1HTR1A
SCHEMBL9016250 0.83 KCNH2 (0.59) MEN1KMT2AADRB2ADRB1HTR1A
SCHEMBL9016256 0.83 ADRB2 (0.58) MEN1KMT2AADRB2ADRB1HTR1A
SCHEMBL9016243 0.82 KMT2A (0.66) MEN1KMT2AKCNH2KDM4EALDH1A1
SCHEMBL9016221 0.82 KCNH2 (0.57) MEN1KMT2AADRB2ADRB1HTR1A

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