SCHEMBL8126089

SCHEMBL8126089

N#C/C=C1/c2ccccc2COc2cc(CCl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.43
HRH1 P35367 5/20 0.39
HTR2B P41595 5/20 0.39
KCNH2 Q12809 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
SLC22A1 O15245 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39

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
SCHEMBL8126092 1.00 AKR1B1 (0.43) AKR1B1HRH1HTR2BKCNH2ALDH1A1
SCHEMBL8135265 0.88 AKR1B1 (0.45) AKR1B1HRH1HTR2BKCNH2ALDH1A1
SCHEMBL4360929 0.88 AKR1B1 (0.45) AKR1B1HRH1HTR2BKCNH2ALDH1A1
SCHEMBL4360936 0.88 AKR1B1 (0.45) AKR1B1HRH1HTR2BKCNH2ALDH1A1
SCHEMBL1918498 0.82 LMNA (0.35) HRH1HTR2BKCNH2ALDH1A1LMNA
SCHEMBL1918496 0.82 LMNA (0.35) HRH1HTR2BKCNH2ALDH1A1LMNA
SCHEMBL11609289 0.81 HTR2B (0.51) HRH1HTR2BKCNH2ALDH1A1LMNA
SCHEMBL14415807 0.81 HTR2B (0.51) HRH1HTR2BKCNH2ALDH1A1LMNA
SCHEMBL1918425 0.79 HTR2B (0.45) AKR1B1HRH1HTR2BKCNH2ALDH1A1
SCHEMBL1917023 0.79 HTR2B (0.42) AKR1B1HRH1HTR2BKCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0549352-B1 Tricyclic compounds as angiotensin II antagonists KYOWA HAKKO KOGYO KK (JP) 2000-03-01 EP disclosed
US-5478840-A Imidazo(4,5-b)pyridine derivatives used as antagonism to angiotensin ii receptors KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-12-26 US disclosed
US-5378701-A Angiotensin II inhibitors; hypotensive agents; congestive heart and kidney failure; glaucoma KYOWA HAKKO KOGYO (JP) 1995-01-03 US disclosed
EP-0549352-A2 Tricyclic compounds as angiotensin II antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-06-30 EP disclosed