SCHEMBL164398

SCHEMBL164398

CCCN1CCCc2nc(OC3CCN(C4CCC4)CC3)sc21

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.34
KCNH2 Q12809 3/20 0.33
ADRA1A P35348 2/20 0.33

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
SCHEMBL166423 0.79 HRH3 (0.37) HRH3
SCHEMBL165592 0.76 HRH3 (0.45) HRH3
SCHEMBL12474141 0.76 HRH3 (0.37) HRH3
SCHEMBL175844 0.74 HRH3 (0.35) HRH3KCNH2
SCHEMBL166761 0.74 HRH3 (0.37) HRH3KCNH2
SCHEMBL165665 0.74 HRH3 (0.43) HRH3KCNH2
SCHEMBL176068 0.73 HRH3 (0.35) HRH3KCNH2ADRA1A
SCHEMBL175797 0.71 HRH3 (0.40) HRH3
SCHEMBL166290 0.71 NPC1 (0.43) HRH3
Cadaverine Tartrate SCHEMBL175958 0.69 HRH3 (0.40) 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-2611444-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2013-07-10 EP disclosed
WO-2012029070-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed