SCHEMBL1345589

SCHEMBL1345589

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.42
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
RRM1 P23921 1/20 0.36
OTC P00480 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.34
THRB P10828 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DDAH1 O94760 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPY1R P25929 1/20 0.33
NPY4R P50391 1/20 0.33
S1PR2 O95136 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 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
SCHEMBL22403858 0.84 DPP7 (0.45) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL10727004 0.81 DPP7 (0.50) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL7326934 0.79 DPP7 (0.49) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL13319577 0.79 DPP7 (0.49) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL1388277 0.79 DPP7 (0.49) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL15165702 0.79 DPP7 (0.49) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL14769718 0.79 DPP7 (0.49) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL23177668 0.78 DPP7 (0.53) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL1345585 0.77 DDAH1 (0.48) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL1345150 0.76 DDAH1 (0.42) OTCTDP1DDAH1ALDH1A1HPGD

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 DPP7 560/4885GNAI3 145/4885GNAO1 207/4885

“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.