SCHEMBL15840382

SCHEMBL15840382

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.39
RRM1 P23921 1/20 0.36
ECE1 P42892 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
PGGT1B P53609 1/20 0.34
NOD1 Q9Y239 1/20 0.34
LTA4H P09960 1/20 0.33
PDK2 Q15119 1/20 0.33
RECQL P46063 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
SCHEMBL29481114 0.81 ECE1 (0.50) DPP7RRM1ECE1GNAI3GNAO1
SCHEMBL757140 0.81 CA12 (0.33) DPP7ECE1
SCHEMBL1274426 0.80 CA12 (0.35) DPP7RRM1ECE1PDK2
SCHEMBL2189880 0.80 CA12 (0.35) DPP7RRM1ECE1PDK2
SCHEMBL8424381 0.78 DPP7 (0.44) DPP7RRM1ECE1GNAI3GNAO1
SCHEMBL28778529 0.78 DPP7 (0.44) DPP7RRM1ECE1GNAI3GNAO1
SCHEMBL30910775 0.77 TSHR (0.44) DPP7RRM1ECE1GNAI3GNAO1
Hydrochloric Acid SCHEMBL21724717 0.76 TSHR (0.42) DPP7RRM1ECE1GNAI3GNAO1
Hydrochloric Acid SCHEMBL21724719 0.76 TSHR (0.42) DPP7RRM1ECE1GNAI3GNAO1
SCHEMBL5368120 0.76 DPP7 (0.61) DPP7RRM1ECE1GNAI3GNAO1

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-2014095773-A1 PEPTIDES AS OXYTOCIN AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-26 WO disclosed