SCHEMBL30458665

SCHEMBL30458665

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.58
OPRK1 P41145 8/20 0.58
NMUR2 Q9GZQ4 3/20 0.56
NMUR1 Q9HB89 3/20 0.56
OPRD1 P41143 1/20 0.55
NTSR2 O95665 2/20 0.55
NTSR1 P30989 2/20 0.55
SORT1 Q99523 2/20 0.55
F2 P00734 1/20 0.54
MMP1 P03956 1/20 0.53
MMP3 P08254 1/20 0.53

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
SCHEMBL31219332 0.95 REN (0.54) OPRM1OPRK1NMUR2NMUR1OPRD1
SCHEMBL30458238 0.91 OPRM1 (0.57) OPRM1OPRK1NMUR2NMUR1OPRD1
SCHEMBL30799488 0.91 OPRM1 (0.57) OPRM1OPRK1NMUR2NMUR1
SCHEMBL8836985 0.91 OPRM1 (0.60) OPRM1OPRK1OPRD1NTSR2NTSR1
SCHEMBL6497247 0.91 F2 (0.57) OPRM1OPRK1OPRD1F2
SCHEMBL2778546 0.91 F2 (0.57) OPRM1OPRK1OPRD1F2
SCHEMBL2119635 0.91 F2 (0.57) OPRM1OPRK1OPRD1F2
SCHEMBL6850160 0.91 F2 (0.57) OPRM1OPRK1OPRD1F2
SCHEMBL2778544 0.91 F2 (0.57) OPRM1OPRK1OPRD1F2
SCHEMBL30974592 0.90 F2 (0.58) OPRM1OPRK1OPRD1F2

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-116444614-A Dipeptidyl peptidase-IV inhibiting peptide and application thereof 华南理工大学 2023-07-18 CN disclosed