SCHEMBL7925286

SCHEMBL7925286

CC1(C)C2CCC1(C)C(N=C(NC1CC3CCC1(C)C3(C)C)N(N)C(=N)N(C1CCCCC1)C1CCCCC1)C2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
CPB2 Q96IY4 11/20 0.35
CYP3A4 P08684 2/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL7925296 0.81 SIGMAR1 (0.37) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL6156180 0.80 EPHX2 (0.37) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL6155151 0.75 SIGMAR1 (0.36) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL6154684 0.71 SIGMAR1 (0.35) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL7934716 0.64 EPHX2 (0.46) EPHX2CPB2GAA
SCHEMBL6154914 0.63 EPHX2 (0.52) EPHX2CPB2CYP3A4GAA
SCHEMBL8731825 0.61 EPHX2 (0.54) EPHX2CPB2GAA
SCHEMBL8342119 0.60 EPHX2 (0.44) EPHX2CPB2GAA
SCHEMBL9817278 0.59 EPHX2 (0.38) EPHX2CPB2
SCHEMBL6314315 0.59 EPHX2 (0.63) EPHX2CPB2GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242198-B1 ADMINISTERING GUANIDINE COMPOUND CAMBRIDGE NEUROSCIENCE, INC. 2001-06-05 US disclosed