SCHEMBL7167159

SCHEMBL7167159

CC1CCCN1CCc1cc2c(B3OC(C)(C)C(C)(C)O3)cccc2o1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.49
KCNH2 Q12809 1/20 0.46

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
SCHEMBL2786115 1.00 HRH3 (0.49) HRH3KCNH2
SCHEMBL13865071 0.87 HRH3 (0.44) HRH3KCNH2
SCHEMBL12990262 0.82 HRH3 (0.55) HRH3
SCHEMBL13865040 0.80 HRH3 (0.55) HRH3KCNH2
SCHEMBL13863633 0.80 HRH3 (0.55) HRH3KCNH2
SCHEMBL2784907 0.76 HRH3 (0.53) HRH3
SCHEMBL2787630 0.74 HRH3 (0.49) HRH3
SCHEMBL7194869 0.73 HRH3 (0.47) HRH3
SCHEMBL2784905 0.73 HRH3 (0.47) HRH3
SCHEMBL2786102 0.73 HRH3 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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