SCHEMBL3377939

SCHEMBL3377939

CC1CC1.CN(CC1CC(Oc2cc(Cl)c(CN3CCCC3)cc2Cl)C1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
GPBAR1 Q8TDU6 2/20 0.37
BCHE P06276 1/20 0.36
KDM4E B2RXH2 5/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
KCNH2 Q12809 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CHEK1 O14757 1/20 0.33
RPS6KB1 P23443 1/20 0.33
FLT4 P35916 1/20 0.33
FLT3 P36888 1/20 0.33
RPS6KA3 P51812 1/20 0.33

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
SCHEMBL3442151 0.96 HRH3 (0.52) HRH3GPBAR1BCHEKDM4EMEN1
SCHEMBL3442149 0.96 HRH3 (0.52) HRH3GPBAR1BCHEKDM4EMEN1
SCHEMBL3377707 0.86 HRH3 (0.55) HRH3BCHEHRH1CCR3KCNH2
SCHEMBL3380259 0.84 HRH3 (0.45) HRH3GPBAR1BCHEKDM4EGAA
Hydrochloric Acid SCHEMBL3375938 0.84 HRH3 (0.48) HRH3GPBAR1KDM4ETDP1MEN1
Hydrochloric Acid SCHEMBL3375941 0.84 HRH3 (0.48) HRH3GPBAR1KDM4ETDP1MEN1
SCHEMBL3378152 0.84 HRH3 (0.43) HRH3GPBAR1BCHEKDM4EMEN1
SCHEMBL3442655 0.83 HRH3 (0.46) HRH3GPBAR1KDM4EGAATDP1
SCHEMBL3442653 0.83 HRH3 (0.46) HRH3GPBAR1KDM4EGAATDP1
Cyclohexane SCHEMBL3380419 0.80 HRH3 (0.57) HRH3KDM4ETDP1ALDH1A1SMN1; SMN2

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