SCHEMBL9016253

SCHEMBL9016253

COc1ccc(CCN(Cc2ccc(Cl)cc2)CC(O)COc2cccc(C)c2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.59
ADRB2 P07550 1/20 0.59
ADRB1 P08588 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2C P18825 1/20 0.59
SLC6A4 P31645 1/20 0.59
ADRA1A P35348 1/20 0.59
HTR2B P41595 1/20 0.59
SLC6A3 Q01959 1/20 0.59
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL9016221 0.93 KCNH2 (0.57) KCNH2ADRB2ADRB1HTR1AADRA2C
SCHEMBL9016252 0.93 KCNH2 (0.61) KCNH2ADRB2ADRB1HTR1AADRA2C
SCHEMBL9016222 0.93 KCNH2 (0.61) KCNH2ADRB2ADRB1HTR1AADRA2C
SCHEMBL9016210 0.91 KCNH2 (0.59) KCNH2ADRB2ADRB1HTR1AADRA2C
SCHEMBL9016229 0.90 HTR2B (0.60) KCNH2ADRB2ADRB1HTR1AADRA2C
SCHEMBL9016230 0.88 KCNH2 (0.56) KCNH2ADRB2ADRB1HTR1AADRA2C
SCHEMBL9016234 0.87 HTR2B (0.57) KCNH2ADRB2ADRB1HTR1AADRA2C
SCHEMBL9016250 0.87 KCNH2 (0.59) KCNH2ADRB2ADRB1HTR1AADRA2C
SCHEMBL9016232 0.87 KCNH2 (0.54) KCNH2ADRB2ADRB1HTR1AADRA2C
SCHEMBL9016244 0.87 ADRB2 (0.63) KCNH2ADRB2ADRB1HTR1AADRA2C

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