SCHEMBL9181983

SCHEMBL9181983

CN(CC/C=C1\c2ccccc2COc2ccccc21)CCC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.70
KCNH2 Q12809 2/20 0.70
HTR2B P41595 2/20 0.70
ALDH1A1 P00352 2/20 0.70
LMNA P02545 2/20 0.70
SLC22A1 O15245 1/20 0.70
CHRM2 P08172 1/20 0.70
CHRM4 P08173 1/20 0.70
HTR1A P08908 1/20 0.70
CHRM5 P08912 1/20 0.70
ADRA2A P08913 1/20 0.70
CHRM1 P11229 1/20 0.70
DRD2 P14416 1/20 0.70
ADRA2B P18089 1/20 0.70
ADRA2C P18825 1/20 0.70
CHRM3 P20309 1/20 0.70
DRD1 P21728 1/20 0.70
DRD4 P21917 1/20 0.70
DRD5 P21918 1/20 0.70
SLC6A2 P23975 1/20 0.70

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
SCHEMBL9179508 1.00 HRH1 (0.70) HRH1KCNH2HTR2BALDH1A1LMNA
SCHEMBL9179501 1.00 HRH1 (0.70) HRH1KCNH2HTR2BALDH1A1LMNA
SCHEMBL9177980 0.93 HRH1 (0.67) HRH1KCNH2HTR2BALDH1A1LMNA
SCHEMBL9180167 0.93 HRH1 (0.67) HRH1KCNH2HTR2BALDH1A1LMNA
SCHEMBL9177996 0.93 HRH1 (0.67) HRH1KCNH2HTR2BALDH1A1LMNA
SCHEMBL9178503 0.92 HRH1 (0.65) HRH1KCNH2HTR2BALDH1A1LMNA
SCHEMBL9178514 0.92 HRH1 (0.65) HRH1KCNH2HTR2BALDH1A1LMNA
SCHEMBL9184551 0.92 HRH1 (0.65) HRH1KCNH2HTR2BALDH1A1LMNA
SCHEMBL9178384 0.91 HRH1 (0.64) HRH1KCNH2HTR2BALDH1A1LMNA
SCHEMBL9179891 0.91 HRH1 (0.64) HRH1KCNH2HTR2BALDH1A1LMNA

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
US-5432192-A Antihistamines HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-11 US disclosed
EP-0589038-A1 TRICYCLIC COMPOUND HOKURIKU SEIYAKU CO., LTD. (JP) 1994-03-30 EP disclosed