SCHEMBL1345585

SCHEMBL1345585

CNC(=O)[C@@H](N)CCCNC(N)=NCCOC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 6/20 0.48
NOS1 P29475 3/20 0.42
DPP7 Q9UHL4 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
RRM1 P23921 1/20 0.34
TERT O14746 2/20 0.34
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
ERAP2 Q6P179 1/20 0.33
LNPEP Q9UIQ6 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
SCHEMBL1345420 0.78 DDAH1 (0.47) DDAH1NOS1GRIN2DGRIN3BGRIN1
SCHEMBL1345153 0.78 DDAH1 (0.52) DDAH1NOS1NOS3NOS2MEN1
SCHEMBL1345589 0.77 DPP7 (0.42) DDAH1DPP7GNAI3GNAO1GNAI1
SCHEMBL15165700 0.75 DPP7 (0.51) DDAH1NOS1DPP7GNAI3GNAO1
SCHEMBL1343488 0.75 DDAH1 (0.43) DDAH1NOS1GRIN2DGRIN3BGRIN1
SCHEMBL1343529 0.75 DDAH1 (0.53) DDAH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1345238 0.74 DDAH1 (0.44) DDAH1DPP7GRIN2DGRIN3BGRIN1
SCHEMBL1345052 0.74 DDAH1 (0.43) DDAH1NOS1GRIN2DGRIN3BGRIN1
SCHEMBL1343296 0.74 DDAH1 (0.43) DDAH1NOS1DPP7GRIN2DGRIN3B
SCHEMBL1345488 0.74 DDAH1 (0.73) DDAH1NOS1GRIN2DGRIN3BGRIN1

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-1828109-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL BUSINESS PLC (GB) 2013-06-05 EP disclosed
US-8063104-B2 Guanidine derivatives as inhibitors of DDAH UCL BUSINESS PLC (GB) 2011-11-22 US disclosed
US-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL Biomedica PLC c/o Finance Division University College of London (GB) 2009-03-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH DDAH1, DOHH, IMPDH1 DDAH1 1/4885NOS1 581/4885DPP7 560/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.