SCHEMBL9601162

SCHEMBL9601162

O=C(C=C1c2ccccc2COc2ccccc21)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.44
ALDH1A1 P00352 3/20 0.44
KCNH2 Q12809 2/20 0.44
HTR2B P41595 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC22A1 O15245 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 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
SCHEMBL8614715 0.83 HRH1 (0.50) HRH1ALDH1A1KCNH2HTR2BLMNA
SCHEMBL8614712 0.83 HRH1 (0.50) HRH1ALDH1A1KCNH2HTR2BLMNA
SCHEMBL11609902 0.70 HTR2B (0.52) HRH1ALDH1A1KCNH2HTR2BLMNA
SCHEMBL4999007 0.70 HTR2B (0.55) HRH1ALDH1A1KCNH2HTR2BLMNA
SCHEMBL4173949 0.70 HTR2B (0.55) HRH1ALDH1A1KCNH2HTR2BLMNA
SCHEMBL4999010 0.70 HTR2B (0.55) HRH1ALDH1A1KCNH2HTR2BLMNA
SCHEMBL4173944 0.70 HTR2B (0.55) HRH1ALDH1A1KCNH2HTR2BLMNA
SCHEMBL8143124 0.69 TBXA2R (0.53) TBXA2R
SCHEMBL8143121 0.69 TBXA2R (0.53) TBXA2R
SCHEMBL8506363 0.69 HRH1 (0.62) HRH1ALDH1A1KCNH2HTR2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5339223-A None JP disclosed
JP-H05339223-A TRICYCLIC COMPOUND KYOWA HAKKO KOGYO CO LTD 1993-12-21 JP disclosed