SCHEMBL7934716

SCHEMBL7934716

CC1(C)C2CCC1(C)C(NC(=N)N(N)C1CC3CCC1(C)C3(C)C)C2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.46
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
CPB2 Q96IY4 5/20 0.35
HSD11B1 P28845 1/20 0.34
CXCR3 P49682 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL27346955 0.73 EPHX2 (0.39) EPHX2KMT2A
SCHEMBL8731825 0.71 EPHX2 (0.54) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL17710514 0.71 EPHX2 (0.36) EPHX2KMT2AGAACXCR3
SCHEMBL8342119 0.70 EPHX2 (0.44) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL6154914 0.70 EPHX2 (0.52) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL9754167 0.69 EPHX2 (0.63) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL1694528 0.69 EPHX2 (0.63) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL3909801 0.69 EPHX2 (0.63) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL6314315 0.69 EPHX2 (0.63) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL12832525 0.68 EPHX2 (0.51) 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