SCHEMBL7925296

SCHEMBL7925296

CC1(C)C2CCC1(C)C(N=C(NC1CC3CCC1(C)C3(C)C)N(N)C(=N)N(C13CC4CC(CC(C4)C1)C3)C13CC4CC(CC(C4)C1)C3)C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
EPHX2 P34913 7/20 0.35
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.31
HSD11B1 P28845 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
SCHEMBL7925286 0.81 EPHX2 (0.36) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6154684 0.78 SIGMAR1 (0.35) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6155151 0.76 SIGMAR1 (0.36) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6156180 0.73 EPHX2 (0.37) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9113853 0.66 SIGMAR1 (0.40) SIGMAR1EPHX2
SCHEMBL7934716 0.64 EPHX2 (0.46) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL6154914 0.62 EPHX2 (0.52) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL8843172 0.61 GRIN2D (0.35) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8731825 0.60 EPHX2 (0.54) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL8342119 0.60 EPHX2 (0.44) EPHX2MEN1HTTKMT2ASMN1; SMN2

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