SCHEMBL9218339

SCHEMBL9218339

N#CC(C#N)=C1NCCN1CCNCc1coc(CN2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.34
SCN9A Q15858 1/20 0.32
DPP7 Q9UHL4 3/20 0.32
HRH3 Q9Y5N1 6/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL9212413 0.92 HRH3 (0.33) APPSCN9AHRH3ACHE
SCHEMBL9218033 0.83 ACHE (0.47) DPP7HRH3ACHE
SCHEMBL9218017 0.83 ACHE (0.47) DPP7HRH3ACHE
SCHEMBL9217125 0.82 ACHE (0.46) SCN9ADPP7HRH3ACHE
SCHEMBL9216482 0.79 L3MBTL1 (0.33) APPHRH3
SCHEMBL9217113 0.79 L3MBTL1 (0.35) APPHRH3
Fumaric Acid SCHEMBL29754133 0.77 ACHE (0.44) HRH3ACHE
SCHEMBL9218332 0.77 HRH3 (0.32) HRH3
SCHEMBL9213773 0.74 ACHE (0.38) HRH3ACHE
SCHEMBL9212797 0.74 ACHE (0.38) ACHE

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
EP-0413343-B1 Furan derivatives KYOWA HAKKO KOGYO KK (JP) 1995-08-02 EP disclosed
US-5075301-A FURAN DERIVATIVES USEFUL FOR THE TREATMENT OF GASTRO-INTESTINAL DISORDERS KYOWA HAKKO KOGYO, CO., LTD. (JP) 1991-12-24 US disclosed
EP-0413343-A2 Furan derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-02-20 EP disclosed