SCHEMBL30862340

SCHEMBL30862340

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.49
▸ NMUR2 Q9GZQ4 4/20 0.48
▸ NMUR1 Q9HB89 3/20 0.48
▸ OPRD1 P41143 2/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ NTSR1 P30989 3/20 0.45
▸ NTSR2 O95665 2/20 0.45
▸ SORT1 Q99523 1/20 0.45

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
SCHEMBL30862339 1.00 REN (0.49) RENNMUR2NMUR1OPRD1KDM1A
SCHEMBL30558182 0.88 OPRM1 (0.47) RENOPRD1OPRM1
SCHEMBL30829334 0.83 CTSC (0.51) RENOPRM1
SCHEMBL31741272 0.83 SLC6A2 (0.55) RENOPRD1OPRM1
SCHEMBL30368311 0.82 REN (0.58) REN
SCHEMBL31362679 0.82 SLC6A2 (0.56) RENOPRD1OPRM1
SCHEMBL31053725 0.82 REN (0.56) REN
SCHEMBL31208560 0.81 NTSR2 (0.55) RENNMUR2NMUR1NTSR1NTSR2
SCHEMBL30248935 0.81 REN (0.52) RENNMUR2NMUR1NTSR1NTSR2
SCHEMBL29777346 0.80 OPRM1 (0.55) RENOPRM1

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-117903250-A Tea dreg antioxidant peptide and preparation method and application thereof 安徽农业大学 2024-04-19 — — CN disclosed
Send feedback