SCHEMBL176068

SCHEMBL176068

CCCN1Cc2nc(OC3CCCN(C4CCC4)CC3)sc2C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.35
KCNH2 Q12809 4/20 0.35
ADRA1A P35348 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL165665 0.92 HRH3 (0.43) HRH3KCNH2SMN1; SMN2
SCHEMBL165592 0.88 HRH3 (0.45) HRH3SMN1; SMN2
SCHEMBL176847 0.80 NPC1 (0.36) HRH3KCNH2
SCHEMBL12474148 0.76 NPC1 (0.46) HRH3KCNH2
SCHEMBL175797 0.76 HRH3 (0.40) HRH3
SCHEMBL168095 0.76 NPC1 (0.38) HRH3
SCHEMBL164398 0.73 HRH3 (0.34) HRH3KCNH2ADRA1A
SCHEMBL165847 0.73 NPC1 (0.38) HRH3KCNH2
SCHEMBL15738855 0.72 NPC1 (0.48) HRH3
SCHEMBL166290 0.72 NPC1 (0.43) HRH3

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