SCHEMBL3377352

SCHEMBL3377352

CN(CC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)C(=O)OC1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
KCNH2 Q12809 5/20 0.40
HRH1 P35367 4/20 0.40
CCR3 P51677 4/20 0.40
MLNR O43193 1/20 0.38
BCHE P06276 1/20 0.37
CYP2A13 Q16696 1/20 0.36
CXCR3 P49682 1/20 0.36
KMT2A Q03164 1/20 0.35
PLA2G1B P04054 1/20 0.35
POLB P06746 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
ADRB2 P07550 1/20 0.35
MCHR1 Q99705 1/20 0.35
S1PR1 P21453 1/20 0.35
PRKX P51817 1/20 0.35
ACVR1 Q04771 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL3380460 0.87 KCNH2 (0.45) HRH3KCNH2BCHEKMT2AADRB2
SCHEMBL3380259 0.87 HRH3 (0.45) HRH3KCNH2HRH1CCR3BCHE
SCHEMBL3381173 0.85 HRH3 (0.57) HRH3KCNH2HRH1CCR3MLNR
Cyclohexane SCHEMBL3380419 0.85 HRH3 (0.57) HRH3KCNH2HRH1CCR3MLNR
Cyclopropane SCHEMBL3413689 0.85 HRH3 (0.57) HRH3KCNH2HRH1CCR3MLNR
Cyclopentane SCHEMBL3381172 0.85 HRH3 (0.57) HRH3KCNH2HRH1CCR3MLNR
SCHEMBL3377707 0.85 HRH3 (0.55) HRH3KCNH2HRH1CCR3MLNR
SCHEMBL3380037 0.85 HRH3 (0.38) HRH3KCNH2HRH1CCR3BCHE
SCHEMBL3375063 0.84 HRH3 (0.70) HRH3KCNH2HRH1CCR3MLNR
SCHEMBL3377922 0.84 HRH3 (0.54) HRH3KCNH2HRH1CCR3MLNR

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