SCHEMBL8338292

SCHEMBL8338292

N=C(N)N(N)C(=NC1CCCCC1)NC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.54
EPHX1 P07099 5/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
EPHX2 P34913 1/20 0.33
F2 P00734 1/20 0.32
PLG P00747 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
GRIN2D O15399 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
SCHEMBL6155359 0.88 SIGMAR1 (0.58) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL9113853 0.76 SIGMAR1 (0.40) SIGMAR1EPHX1CYP3A4EPHX2
SCHEMBL9114330 0.76 SIGMAR1 (0.39) SIGMAR1EPHX1NPC1EPHX2
SCHEMBL2740853 0.74 SIGMAR1 (0.53) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL8843018 0.74 SIGMAR1 (0.38) SIGMAR1EPHX1NPC1RAB9A
SCHEMBL3919418 0.73 SIGMAR1 (0.52) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL28484903 0.73 SIGMAR1 (0.52) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL28484902 0.73 SIGMAR1 (0.52) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL2740855 0.73 SIGMAR1 (0.52) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL28482705 0.73 SIGMAR1 (0.52) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1

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-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed