SCHEMBL7416583

SCHEMBL7416583

N=C(N)NCCC[C@H](N)C(=O)OCC(N)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.47
NPY4R P50391 9/20 0.46
NPY1R P25929 6/20 0.46
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
NPY2R P49146 4/20 0.43
NPY5R Q15761 4/20 0.43
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40

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
Phenylalanine SCHEMBL17962430 0.90 SLC7A5 (0.50) MMP2NPY4RNPY1RANPEPRNPEP
SCHEMBL1537375 0.86 ANPEP (0.47) MMP2NPY4RNPY1RANPEPRNPEP
SCHEMBL1401439 0.86 ANPEP (0.47) MMP2NPY4RNPY1RANPEPRNPEP
SCHEMBL3362561 0.86 DPP8 (0.50) NPY4RNPY1RANPEPDPP8DPP7
SCHEMBL22133069 0.86 DPP8 (0.50) NPY4RNPY1RANPEPDPP8DPP7
SCHEMBL7758995 0.86 DPP8 (0.50) NPY4RNPY1RANPEPDPP8DPP7
Hydrochloric Acid SCHEMBL27766761 0.85 DPP8 (0.49) NPY4RNPY1RANPEPDPP8DPP7
Hydrochloric Acid SCHEMBL27766760 0.85 DPP8 (0.49) NPY4RNPY1RANPEPDPP8DPP7
Dl-Phenylalanine SCHEMBL27756967 0.84 SLC7A5 (0.49) NPY4RNPY1RANPEPRNPEPDNPEP
SCHEMBL21722100 0.83 LMNA (0.52)

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-1990014362-A1 ATRIAL PEPTIDE DERIVATIVES ABBOTT LABORATORIES (US) 1990-11-29 WO disclosed