SCHEMBL4358926

SCHEMBL4358926

CC(C)N1CCC(Oc2ccc(N3CCN(C(=O)c4ccc(S(C)(=O)=O)cc4)CC3)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.74
HRH1 P35367 1/20 0.74
PRKAA2 P54646 2/20 0.52
KMT2A Q03164 2/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
NAMPT P43490 1/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL3586374 0.87 HRH3 (0.72) HRH3HRH1KMT2AMEN1SMN1; SMN2
SCHEMBL4673719 0.86 HRH3 (0.56) HRH3HRH1KMT2ACA12CA1
SCHEMBL14006742 0.86 HRH3 (0.77) HRH3HRH1
SCHEMBL5275285 0.85 HRH3 (1.00) HRH3HRH1PRKAA2CA12CA1
SCHEMBL4670675 0.81 HRH3 (0.50) HRH3HRH1KMT2A
SCHEMBL6472123 0.79 HRH3 (0.63) HRH3HRH1KMT2AMEN1SMN1; SMN2
SCHEMBL1807688 0.79 HRH3 (0.63) HRH3HRH1PRKAA2KMT2ACA12
SCHEMBL3577920 0.78 HRH3 (0.56) HRH3KMT2ALMNAHTTSMN1; SMN2
SCHEMBL5203383 0.78 HRH3 (0.67) HRH3MAPT
SCHEMBL121598 0.77 HRH3 (0.67) HRH3KMT2A

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
US-7615550-B2 Substituted piperazines,(1,4) diazepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LIMITED (GB) 2009-11-10 US claimed