SCHEMBL3380792

SCHEMBL3380792

CN(CC1CC(Oc2ccc(Cl)c(CN3CCCC3)c2Cl)C1)C(=O)OC1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
BCHE P06276 3/20 0.38
RORC P51449 6/20 0.33
HRH1 P35367 1/20 0.33
CCR3 P51677 1/20 0.33
ACHE P22303 2/20 0.33
S1PR5 Q9H228 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KCNH2 Q12809 1/20 0.32
MCHR1 Q99705 1/20 0.32
KAT2B Q92831 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32

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
SCHEMBL3377159 0.88 HRH3 (0.41) HRH3BCHEACHEKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3377953 0.88 HRH3 (0.39) HRH3RORCS1PR5KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3377955 0.88 HRH3 (0.39) HRH3RORCS1PR5KDM4EALDH1A1
SCHEMBL3442329 0.86 HRH3 (0.45) HRH3BCHERORCACHES1PR5
SCHEMBL3442332 0.86 HRH3 (0.45) HRH3BCHERORCACHES1PR5
SCHEMBL3378184 0.85 HRH3 (0.44) HRH3BCHERORCS1PR5KDM4E
SCHEMBL3380259 0.84 HRH3 (0.45) HRH3BCHEHRH1CCR3S1PR5
SCHEMBL3380460 0.83 KCNH2 (0.45) HRH3BCHEKDM4EKCNH2MCHR1
SCHEMBL3380037 0.82 HRH3 (0.38) HRH3BCHEHRH1CCR3KDM4E
Hydrochloric Acid SCHEMBL3378531 0.82 HRH3 (0.41) HRH3RORCS1PR5KDM4EALDH1A1

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
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed