SCHEMBL2361301

SCHEMBL2361301

NC(CCCC(=O)O)CNCc1ncccn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.36
TBXAS1 P24557 5/20 0.34
SHMT2 P34897 1/20 0.34
HTT P42858 1/20 0.34
LTA4H P09960 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
SCHEMBL2360199 0.84 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1
SCHEMBL15208850 0.75 GRIN3B (0.46)
SCHEMBL15208845 0.75 GRIN3B (0.46)
SCHEMBL2361200 0.75 CYP2D6 (0.50) ENPEPSMN1; SMN2ALDH1A1
SCHEMBL19214748 0.72 EGLN2 (0.42) SMN1; SMN2ALDH1A1SHMT2
SCHEMBL2238009 0.71 ARG1 (0.43)
SCHEMBL2238003 0.71 ARG1 (0.43)
SCHEMBL2329796 0.70 ARG1 (0.39) ALDH1A1LTA4H
SCHEMBL2236602 0.70 ARG1 (0.39) ALDH1A1LTA4H
SCHEMBL2234954 0.70 ENPEP (0.40) ENPEPSMN1; SMN2ALDH1A1TBXAS1SHMT2

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
WO-2011095218-A1 TEMPLATE-FIXED PEP TIDOMIME TICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed