SCHEMBL30853585

SCHEMBL30853585

CSCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 1/20 0.48
▸ NTSR1 P30989 2/20 0.47
▸ OPRM1 P35372 2/20 0.46
▸ OPRD1 P41143 2/20 0.46
▸ NMUR2 Q9GZQ4 4/20 0.46
▸ NMUR1 Q9HB89 4/20 0.46
▸ APLNR P35414 1/20 0.45
▸ CAPN1 P07384 2/20 0.45
▸ RAMP3 O60896 4/20 0.44
▸ CALCR P30988 4/20 0.44
▸ F2 P00734 3/20 0.44

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
SCHEMBL30785950 0.93 OPRM1 (0.57) NTSR1OPRM1OPRD1NMUR2NMUR1
SCHEMBL30446656 0.90 OPRM1 (0.48) NAA50NTSR1OPRM1OPRD1NMUR2
SCHEMBL5495351 0.89 NAA50 (0.54) NAA50NTSR1NMUR2NMUR1APLNR
SCHEMBL30608626 0.88 NAA50 (0.53) NAA50NTSR1OPRM1OPRD1NMUR2
SCHEMBL30158799 0.88 OPRM1 (0.59) NTSR1OPRM1OPRD1NMUR2NMUR1
SCHEMBL30420836 0.87 NAA50 (0.50) NAA50NTSR1OPRM1OPRD1RAMP3
SCHEMBL29430993 0.87 NAA50 (0.56) NAA50NTSR1OPRM1OPRD1NMUR2
SCHEMBL30608607 0.87 NAA50 (0.53) NAA50NTSR1OPRM1OPRD1NMUR2
SCHEMBL30019693 0.86 OPRD1 (0.48) NAA50OPRD1APLNRCALCR
SCHEMBL30608603 0.86 NAA50 (0.51) NAA50NTSR1OPRM1OPRD1NMUR2

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-117551170-B ACE (angiotensin converting enzyme) inhibitory peptide as well as preparation method and application thereof 中国科学院烟台海岸带研究所 2024-04-19 — — CN disclosed
Send feedback