SCHEMBL30618378

SCHEMBL30618378

N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP3 Q9NY33 5/20 0.60
C5AR1 P21730 2/20 0.54
OPRM1 P35372 3/20 0.53
TACR1 P25103 1/20 0.50
CTSL P07711 1/20 0.48
CTSH P09668 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 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
SCHEMBL31674416 0.92 DPP3 (0.59) DPP3C5AR1OPRM1
SCHEMBL31674417 0.92 DPP3 (0.59) DPP3C5AR1OPRM1
SCHEMBL29812340 0.92 C5AR1 (0.59) DPP3C5AR1OPRM1TACR1CTSL
SCHEMBL29812307 0.91 C5AR1 (0.61) DPP3C5AR1OPRM1TACR1CTSL
SCHEMBL30729666 0.91 SLC6A2 (0.52) DPP3OPRM1OPRD1OPRK1
SCHEMBL30254337 0.90 DPP3 (0.55) DPP3C5AR1OPRM1CTSLCTSH
SCHEMBL31040595 0.90 DPP3 (0.56) DPP3C5AR1OPRM1TACR1CTSL
SCHEMBL30100215 0.89 DPP3 (0.61) DPP3C5AR1OPRM1CTSLCTSH
SCHEMBL30033999 0.88 KISS1R (0.57) DPP3C5AR1OPRM1
SCHEMBL29649745 0.87 DPP3 (0.58) DPP3C5AR1TACR1CTSLCTSH

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
CN-114989250-B Angiotensin converting enzyme inhibitory polypeptide from seawater pearl and application thereof 浙江清荣生物科技发展有限公司 2023-08-15 CN disclosed