SCHEMBL3380217

SCHEMBL3380217

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
MLNR O43193 3/20 0.39
HRH1 P35367 2/20 0.37
CCR3 P51677 2/20 0.37
KCNH2 Q12809 2/20 0.37
S1PR1 P21453 1/20 0.36
PRKX P51817 1/20 0.36
ACVR1 Q04771 1/20 0.36
S1PR5 Q9H228 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GHSR Q92847 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL3377393 0.91 HRH3 (0.54) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3376590 0.88 HRH3 (0.53) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3376562 0.88 HRH3 (0.56) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3377768 0.88 HRH3 (0.56) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3376860 0.87 HRH3 (0.52) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3377148 0.86 HRH3 (0.55) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3379778 0.86 HRH3 (0.55) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3375063 0.86 HRH3 (0.70) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3380239 0.85 HRH3 (0.54) HRH3MLNRHRH1CCR3KCNH2
SCHEMBL3376380 0.85 HRH3 (0.54) 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