SCHEMBL9212413

SCHEMBL9212413

N#CC(C#N)=C1NCCN1CCNCc1cc(CN2CCCCC2)co1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.33
ACHE P22303 1/20 0.32
APP P05067 1/20 0.31
SCN9A Q15858 1/20 0.30

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
SCHEMBL9218339 0.92 APP (0.34) HRH3ACHEAPPSCN9A
SCHEMBL9218033 0.83 ACHE (0.47) HRH3ACHE
SCHEMBL9218017 0.83 ACHE (0.47) HRH3ACHE
SCHEMBL9217125 0.82 ACHE (0.46) HRH3ACHESCN9A
SCHEMBL9217113 0.79 L3MBTL1 (0.35) HRH3APP
SCHEMBL9216482 0.79 L3MBTL1 (0.33) HRH3APP
Fumaric Acid SCHEMBL29754133 0.77 ACHE (0.44) HRH3ACHE
SCHEMBL9212403 0.77 ALDH1A1 (0.32) HRH3
SCHEMBL9216873 0.75 CHRM2 (0.41) SCN9A
SCHEMBL9213773 0.74 ACHE (0.38) HRH3ACHE

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