SCHEMBL30458060

SCHEMBL30458060

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 3/20 0.62
▸ OPRM1 P35372 7/20 0.56
▸ OPRK1 P41145 7/20 0.56
▸ NMUR2 Q9GZQ4 4/20 0.54
▸ NMUR1 Q9HB89 4/20 0.54
▸ C5AR1 P21730 1/20 0.52
▸ MC4R P32245 1/20 0.51
▸ CTSL P07711 1/20 0.50
▸ CTSH P09668 1/20 0.50
▸ CTSS P25774 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ F2 P00734 1/20 0.50

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
SCHEMBL30457594 0.93 APLNR (0.59) APLNROPRM1OPRK1NMUR2NMUR1
SCHEMBL30753630 0.93 APLNR (0.65) APLNROPRM1OPRK1NMUR2NMUR1
SCHEMBL30753629 0.91 APLNR (0.62) APLNROPRM1OPRK1NMUR2NMUR1
SCHEMBL30458238 0.90 OPRM1 (0.57) OPRM1OPRK1NMUR2NMUR1
SCHEMBL31040681 0.89 EPHA2 (0.56) APLNROPRM1OPRK1CTSLCTSH
SCHEMBL30526201 0.88 OPRM1 (0.57) APLNROPRM1OPRK1CTSLCTSH
SCHEMBL31157043 0.88 APLNR (0.58) APLNROPRM1OPRK1C5AR1CTSL
SCHEMBL29606819 0.88 APLNR (0.57) APLNROPRM1OPRK1NMUR2NMUR1
SCHEMBL31384591 0.87 MC4R (0.56) APLNROPRM1OPRK1C5AR1MC4R
SCHEMBL29607754 0.87 APLNR (0.56) APLNROPRM1OPRK1NMUR2NMUR1

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