SCHEMBL9213773

SCHEMBL9213773

N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCOCC2)o1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
MYC P01106 1/20 0.33
PKM P14618 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 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
SCHEMBL9217125 0.92 ACHE (0.46) ACHEHRH3KDM4E
SCHEMBL9218017 0.91 ACHE (0.47) ACHEALDH1A1HRH3CYP3A4KDM4E
SCHEMBL9218033 0.91 ACHE (0.47) ACHEALDH1A1HRH3CYP3A4KDM4E
SCHEMBL9212797 0.89 ACHE (0.38) ACHE
SCHEMBL9208005 0.88 ACHE (0.37) ACHEHRH3
SCHEMBL9217083 0.87 ACHE (0.36) ACHEALDH1A1HRH3KDM4E
SCHEMBL9210553 0.85 ACHE (0.37) ACHEALDH1A1POLB
SCHEMBL9219515 0.84 SCN9A (0.32) ACHEHRH3
Fumaric Acid SCHEMBL29754133 0.84 ACHE (0.44) ACHEHRH3KDM4E
SCHEMBL9276600 0.83 ACHE (0.37) ACHEHTTALDH1A1POLBHRH3

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