SCHEMBL29649745

SCHEMBL29649745

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 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP3 Q9NY33 5/20 0.58
DPP4 P27487 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ITGB2 P05107 1/20 0.51
ICAM1 P05362 1/20 0.51
ITGAL P20701 1/20 0.51
NTSR2 O95665 1/20 0.49
NTSR1 P30989 1/20 0.49
SORT1 Q99523 1/20 0.49
TACR1 P25103 3/20 0.48
CTSL P07711 1/20 0.46
CTSH P09668 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
C5AR1 P21730 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
SCHEMBL29657709 0.92 DPP3 (0.54) DPP3DPP4NTSR2NTSR1SORT1
SCHEMBL29842186 0.90 DPP3 (0.65) DPP3DPP4MEN1KMT2AITGB2
SCHEMBL30254337 0.90 DPP3 (0.55) DPP3MEN1KMT2AITGB2ICAM1
SCHEMBL30518114 0.89 DPP3 (0.55) DPP3C5AR1
SCHEMBL31040595 0.88 DPP3 (0.56) DPP3TACR1CTSLCTSHCTSS
SCHEMBL30050936 0.88 DPP3 (0.69) DPP3DPP4MEN1KMT2AITGB2
SCHEMBL29963309 0.87 DPP3 (0.64) DPP3DPP4MEN1KMT2AITGB2
SCHEMBL29649768 0.87 OPRM1 (0.54)
SCHEMBL30052255 0.86 DPP3 (0.69) DPP3DPP4MEN1KMT2AITGB2
SCHEMBL29498733 0.86 DPP3 (0.63) DPP3DPP4MEN1KMT2AITGB2

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