SCHEMBL30445781

SCHEMBL30445781

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.57
▸ OPRK1 P41145 2/20 0.56
▸ NMUR1 Q9HB89 4/20 0.54
▸ NTSR2 O95665 5/20 0.53
▸ NTSR1 P30989 5/20 0.53
▸ KDM1A O60341 2/20 0.53
▸ MAOB P27338 1/20 0.53
▸ KDM5A P29375 1/20 0.53
▸ KDM1B Q8NB78 1/20 0.53
▸ SORT1 Q99523 3/20 0.53
▸ OPRM1 P35372 1/20 0.52
▸ OPRD1 P41143 1/20 0.52
▸ MC4R P32245 1/20 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
SCHEMBL31064877 0.88 OPRK1 (0.53) OPRK1NTSR2NTSR1SORT1OPRM1
SCHEMBL31130616 0.86 MC4R (0.57) NTSR2NTSR1SORT1MC4R
SCHEMBL29630545 0.85 SLC6A2 (0.50) NMUR2NMUR1
SCHEMBL29714014 0.85 NTSR1 (0.64) NMUR2NTSR2NTSR1SORT1OPRM1
SCHEMBL30203894 0.85 NMUR2 (0.54) NMUR2OPRK1NMUR1NTSR2NTSR1
SCHEMBL30495628 0.84 OPRD1 (0.61) NMUR2OPRK1NMUR1OPRM1OPRD1
SCHEMBL30234090 0.84 NMUR2 (0.55) NMUR2NMUR1NTSR2NTSR1SORT1
SCHEMBL30385288 0.84 NTSR1 (0.60) NMUR2OPRK1NTSR2NTSR1SORT1
SCHEMBL30560038 0.84 NTSR2 (0.65) OPRK1NTSR2NTSR1SORT1OPRM1
SCHEMBL29591867 0.84 SLC6A2 (0.52) NMUR2NMUR1OPRM1OPRD1

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
EP-4192843-A1 PEPTIDES ABLE TO BIND ANGIOTENSIN-CONVERTING ENZYME 2 (ACE2) AND MEDICAL USES THEREOF Ospedale Pediatrico Bambino Gesù (IT) 2023-06-14 — — EP claimed
EP-4192843-A1 PEPTIDES ABLE TO BIND ANGIOTENSIN-CONVERTING ENZYME 2 (ACE2) AND MEDICAL USES THEREOF Ospedale Pediatrico Bambino Gesù (IT) 2023-06-14 — — EP disclosed
Send feedback