SCHEMBL30436566

SCHEMBL30436566

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 1/20 0.60
▸ NTSR1 P30989 1/20 0.60
▸ SORT1 Q99523 1/20 0.60
▸ CAPN1 P07384 2/20 0.51
▸ CTSB P07858 2/20 0.51
▸ CXCR4 P61073 3/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ DPP3 Q9NY33 1/20 0.48
▸ GHSR Q92847 1/20 0.48
▸ F13A1 P00488 1/20 0.48
▸ TGM2 P21980 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
SCHEMBL31326865 0.89 CAPN1 (0.52) NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL30679614 0.88 CAPN1 (0.55) NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL30974182 0.88 NTSR2 (0.70) NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL29913297 0.87 NTSR2 (0.65) NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL30605444 0.87 NTSR2 (0.61) NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL34461871 0.85 CAPN1 (0.55) NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL30797894 0.85 KISS1R (0.56) NTSR2NTSR1SORT1CXCR4OPRK1
SCHEMBL29498130 0.85 NTSR2 (0.57) NTSR2NTSR1SORT1DPP3GHSR
SCHEMBL31326864 0.83 DPP3 (0.56) NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL30399992 0.83 OPRK1 (0.49) NTSR2NTSR1SORT1OPRK1

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-115819498-B Antioxidant polypeptide penetrating blood brain barrier as well as preparation method and application thereof 吉林农业大学 2023-05-16 — — CN disclosed
CN-115819498-A Blood brain barrier penetrating antioxidant polypeptide and preparation method and application thereof 吉林农业大学 2023-03-21 — — CN disclosed
Send feedback