SCHEMBL3380776

SCHEMBL3380776

CCn1nc(C)cc1OC(=O)N(C)CC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
MLNR O43193 3/20 0.34
HRH1 P35367 2/20 0.34
CCR3 P51677 2/20 0.34
KCNH2 Q12809 2/20 0.34
POLB P06746 2/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
GSK3B P49841 1/20 0.32
LSS P48449 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADRB2 P07550 1/20 0.31

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
SCHEMBL3379245 0.85 HRH3 (0.39) HRH3POLBKDM4EALDH1A1
SCHEMBL3380081 0.84 HRH3 (0.47) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3377764 0.84 HRH3 (0.49) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3381646 0.83 HRH3 (0.49) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3380203 0.83 HRH3 (0.48) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3377635 0.83 HRH3 (0.48) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3380675 0.81 HRH3 (0.48) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3379710 0.81 HRH3 (0.48) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3376562 0.81 HRH3 (0.56) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3375063 0.80 HRH3 (0.70) HRH3MLNRHRH1CCR3KCNH2

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