SCHEMBL9212797

SCHEMBL9212797

N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCSCC2)o1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 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
SCHEMBL9217125 0.91 ACHE (0.46) ACHE
SCHEMBL9218017 0.90 ACHE (0.47) ACHE
SCHEMBL9218033 0.90 ACHE (0.47) ACHE
SCHEMBL9213773 0.89 ACHE (0.38) ACHE
SCHEMBL9208005 0.87 ACHE (0.37) ACHE
SCHEMBL9217083 0.87 ACHE (0.36) ACHE
SCHEMBL9210553 0.84 ACHE (0.37) ACHE
SCHEMBL9219515 0.83 SCN9A (0.32) ACHE
Fumaric Acid SCHEMBL29754133 0.83 ACHE (0.44) ACHE
SCHEMBL9276600 0.82 ACHE (0.37) 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 2 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
EP-0413343-A2 Furan derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-02-20 EP disclosed