SCHEMBL31265321

SCHEMBL31265321

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.59
NMUR2 Q9GZQ4 2/20 0.53
NMUR1 Q9HB89 2/20 0.53
EPHA2 P29317 2/20 0.53
CALCRL Q16602 1/20 0.52
KISS1R Q969F8 3/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
NTSR2 O95665 1/20 0.51
NTSR1 P30989 1/20 0.51
SORT1 Q99523 1/20 0.51
NPY2R P49146 4/20 0.51
NPY4R P50391 4/20 0.51
NPY5R Q15761 4/20 0.51
NPY1R P25929 3/20 0.51

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
SCHEMBL30676236 0.90 SLC6A2 (0.64) SLC6A2EPHA2CALCRLOPRM1OPRD1
SCHEMBL30690152 0.89 SLC6A2 (0.67) SLC6A2EPHA2OPRM1OPRD1
SCHEMBL30906001 0.88 SLC6A2 (0.59) SLC6A2EPHA2OPRM1OPRD1NTSR2
SCHEMBL29457313 0.87 SLC6A2 (0.69) SLC6A2EPHA2CALCRLOPRM1OPRD1
SCHEMBL31681688 0.86 EPHA2 (0.58) SLC6A2NMUR2NMUR1EPHA2KISS1R
SCHEMBL30495883 0.85 SLC6A2 (0.61) SLC6A2NMUR2NMUR1EPHA2CALCRL
SCHEMBL30479459 0.85 NMUR2 (0.53) SLC6A2NMUR2NMUR1EPHA2KISS1R
SCHEMBL29695581 0.85 SLC6A2 (0.60) SLC6A2NMUR2NMUR1EPHA2OPRM1
SCHEMBL31233755 0.85 SLC6A2 (0.64) SLC6A2CALCRLOPRM1OPRD1NTSR2
SCHEMBL30906006 0.85 NTSR1 (0.57) SLC6A2NTSR2NTSR1SORT1

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-118853640-A Carbapenem drug-resistant gene and application thereof 郑州大学 2024-10-29 CN disclosed