SCHEMBL7142017

SCHEMBL7142017

CC1CCCN1CCc1cc2cc(Br)ccc2o1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.70
KCNH2 Q12809 1/20 0.65
CHRM2 P08172 1/20 0.62
CHRM4 P08173 1/20 0.62
HTR1A P08908 1/20 0.62
CHRM5 P08912 1/20 0.62
CHRM1 P11229 1/20 0.62
CHRM3 P20309 1/20 0.62
HRH2 P25021 1/20 0.62
HTR1D P28221 1/20 0.62
HTR2A P28223 1/20 0.62
HRH1 P35367 1/20 0.62
HTR2B P41595 1/20 0.62

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
SCHEMBL2785607 1.00 HRH3 (0.70) HRH3KCNH2CHRM2CHRM4HTR1A
SCHEMBL13863629 0.86 HRH3 (0.74) HRH3KCNH2CHRM2CHRM4HTR1A
SCHEMBL13863628 0.82 HRH3 (0.66) HRH3KCNH2CHRM2CHRM4HTR1A
SCHEMBL12988814 0.82 HRH3 (0.66) HRH3KCNH2CHRM2CHRM4HTR1A
SCHEMBL2786108 0.82 HRH3 (0.78) HRH3KCNH2
SCHEMBL2784898 0.82 HRH3 (1.00) HRH3KCNH2
SCHEMBL7145496 0.81 HRH3 (0.77) HRH3KCNH2CHRM2CHRM4HTR1A
SCHEMBL2785226 0.81 HRH3 (0.74) HRH3KCNH2
SCHEMBL2785374 0.81 HRH3 (0.65) HRH3KCNH2CHRM2CHRM4HTR1A
SCHEMBL2786825 0.81 HRH3 (0.77) HRH3KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538138-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
EP-1370546-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2003-12-17 EP disclosed
WO-2002074758-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-09-26 WO disclosed