SCHEMBL3379710

SCHEMBL3379710

Cc1nonc1OC(=O)N(C)CC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MLNR O43193 3/20 0.35
KCNH2 Q12809 4/20 0.34
HRH1 P35367 2/20 0.34
CCR3 P51677 2/20 0.34
POLB P06746 2/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
THRB P10828 1/20 0.33
GSK3B P49841 1/20 0.32
MCHR1 Q99705 2/20 0.32
LSS P48449 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL3376151 0.89 HRH3 (0.49) HRH3LMNAGAAMLNRKCNH2
SCHEMBL3377365 0.86 HRH3 (0.47) HRH3LMNAGAAMLNRKCNH2
SCHEMBL3377866 0.85 HRH3 (0.48) HRH3MLNRKCNH2HRH1CCR3
SCHEMBL3380675 0.85 HRH3 (0.48) HRH3LMNAGAAMLNRKCNH2
SCHEMBL3375225 0.85 HRH3 (0.47) HRH3MLNRKCNH2HRH1CCR3
SCHEMBL3377874 0.85 HRH3 (0.39) HRH3LMNAGAAPOLBKDM4E
SCHEMBL3376023 0.84 HRH3 (0.46) HRH3LMNAMLNRKCNH2HRH1
SCHEMBL3377732 0.83 HRH3 (0.47) HRH3MLNRKCNH2HRH1CCR3
SCHEMBL3378194 0.83 HRH3 (0.47) HRH3LMNAMLNRKCNH2HRH1
SCHEMBL3381646 0.83 HRH3 (0.49) HRH3MLNRKCNH2HRH1CCR3

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