SCHEMBL29649746

SCHEMBL29649746

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP3 Q9NY33 5/20 0.62
CTSL P07711 3/20 0.50
CTSS P25774 3/20 0.50
CTSK P43235 3/20 0.50
CTSH P09668 1/20 0.50
F13A1 P00488 2/20 0.49
TGM2 P21980 2/20 0.49
CAPN1 P07384 2/20 0.48
CTSB P07858 2/20 0.48
NTSR2 O95665 1/20 0.47
NTSR1 P30989 1/20 0.47
SORT1 Q99523 1/20 0.47
C5AR1 P21730 2/20 0.47
LNPEP Q9UIQ6 2/20 0.47
ANPEP P15144 1/20 0.47
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
OPRM1 P35372 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL32691832 0.93 DPP3 (0.62) DPP3C5AR1LNPEPANPEPOPRM1
SCHEMBL31510402 0.90 CTSL (0.53) DPP3CTSLCTSSCTSKCTSH
SCHEMBL29559228 0.89 LNPEP (0.55) DPP3LNPEPANPEP
SCHEMBL29649745 0.87 DPP3 (0.58) DPP3CTSLCTSSCTSKCTSH
SCHEMBL30050921 0.87 DPP3 (0.67) DPP3F13A1TGM2CAPN1CTSB
SCHEMBL31135506 0.87 C5AR1 (0.53) DPP3CTSLCTSSCTSKCTSH
SCHEMBL30254337 0.87 DPP3 (0.55) DPP3CTSLCTSSCTSKCTSH
SCHEMBL30052939 0.86 DPP3 (0.59) DPP3F13A1TGM2CAPN1CTSB
SCHEMBL30618378 0.85 DPP3 (0.60) DPP3CTSLCTSSCTSKCTSH
SCHEMBL29657709 0.85 DPP3 (0.54) DPP3CTSLCTSSCTSKCTSH

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
US-11331368-B2 Angiotensin receptor agonists and uses thereof MONASH UNIVERSITY (AU) 2022-05-17 US disclosed