SCHEMBL29616317

SCHEMBL29616317

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP3 Q9NY33 5/20 0.61
TACR1 P25103 1/20 0.55
NTSR2 O95665 1/20 0.54
NTSR1 P30989 1/20 0.54
SORT1 Q99523 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
OPRM1 P35372 2/20 0.52
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
CAPN1 P07384 2/20 0.51
CTSB P07858 2/20 0.51
KISS1R Q969F8 1/20 0.49
DPP4 P27487 1/20 0.48

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
SCHEMBL29878538 0.93 TACR1 (0.62) DPP3TACR1NTSR2NTSR1SORT1
SCHEMBL31676682 0.91 DPP3 (0.56) DPP3TACR1NTSR2NTSR1SORT1
SCHEMBL31020751 0.90 DPP3 (0.59) DPP3TACR1OPRM1KISS1R
SCHEMBL30932912 0.88 DPP3 (0.60) DPP3NTSR2NTSR1SORT1MEN1
SCHEMBL30388268 0.88 OPRM1 (0.63) DPP3TACR1OPRM1KISS1R
SCHEMBL30827785 0.87 DPP3 (0.60) DPP3NTSR2NTSR1SORT1MEN1
SCHEMBL29963309 0.86 DPP3 (0.64) DPP3NTSR2NTSR1SORT1MEN1
SCHEMBL29842186 0.86 DPP3 (0.65) DPP3TACR1NTSR2NTSR1SORT1
SCHEMBL31297005 0.86 DPP3 (0.55) DPP3NTSR2NTSR1SORT1MEN1
SCHEMBL30310835 0.86 DPP3 (0.57) DPP3TACR1NTSR2NTSR1SORT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114469773-B Stable anti-aging composition, preparation and application thereof 广东圣雪颜生物科技有限公司 2022-12-06 CN disclosed
CN-114469773-A Stable anti-aging composition and preparation and application thereof 广东迈高生物科技研究有限公司 2022-05-13 CN disclosed