SCHEMBL29966859

SCHEMBL29966859

C[C@@H](O)[C@H](NC(=O)[C@@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CS)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.56
NTSR1 P30989 2/20 0.52
CALCRL Q16602 1/20 0.51
NTSR2 O95665 1/20 0.51
NMUR2 Q9GZQ4 1/20 0.50
OPRM1 P35372 2/20 0.50
OPRD1 P41143 1/20 0.50
KEAP1 Q14145 1/20 0.50
EPHA2 P29317 1/20 0.49
CALCR P30988 2/20 0.49
F2 P00734 1/20 0.49

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
SCHEMBL29966124 1.00 SLC6A2 (0.56) SLC6A2NTSR1CALCRLNTSR2NMUR2
SCHEMBL29966573 1.00 SLC6A2 (0.56) SLC6A2NTSR1CALCRLNTSR2NMUR2
SCHEMBL29705074 0.91 SLC6A2 (0.59) SLC6A2NTSR1CALCRLNTSR2OPRM1
SCHEMBL29836567 0.89 SLC6A2 (0.60) SLC6A2NTSR1CALCRLNTSR2NMUR2
SCHEMBL29796577 0.89 SLC6A2 (0.60) SLC6A2NTSR1CALCRLNTSR2NMUR2
SCHEMBL29702226 0.89 SLC6A2 (0.62) SLC6A2CALCRLOPRM1OPRD1
SCHEMBL29796758 0.87 SLC6A2 (0.64) SLC6A2NTSR1CALCRLNTSR2NMUR2
SCHEMBL31020744 0.87 SLC6A2 (0.63) SLC6A2NTSR1CALCRLNTSR2NMUR2
SCHEMBL30648466 0.87 CALCR (0.59) NTSR1NTSR2CALCR
SCHEMBL30376188 0.86 SLC6A2 (0.59) SLC6A2NTSR1CALCRLNTSR2OPRM1

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-110642923-B Cyclic peptide with antibacterial activity and synthetic method thereof 大连民族大学 2022-09-30 CN disclosed