SCHEMBL30974302

SCHEMBL30974302

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.50
▸ REN P00797 1/20 0.49
▸ OPRK1 P41145 5/20 0.48
▸ NMUR2 Q9GZQ4 1/20 0.47
▸ NMUR1 Q9HB89 1/20 0.47
▸ MC4R P32245 1/20 0.46
▸ LNPEP Q9UIQ6 1/20 0.46
▸ NTSR2 O95665 2/20 0.46
▸ NTSR1 P30989 2/20 0.46
▸ SORT1 Q99523 1/20 0.46

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
SCHEMBL31384593 0.93 OPRK1 (0.56) SLC6A2RENOPRK1
SCHEMBL29590547 0.93 OPRK1 (0.46) SLC6A2RENOPRK1MC4R
SCHEMBL29630560 0.93 OPRK1 (0.46) SLC6A2RENOPRK1MC4R
SCHEMBL30974108 0.91 SLC6A2 (0.51) SLC6A2RENMC4RNTSR2NTSR1
SCHEMBL30383148 0.89 OPRM1 (0.53) SLC6A2
SCHEMBL31583875 0.89 NMUR2 (0.54) SLC6A2NMUR2NMUR1
SCHEMBL29630596 0.88 MEN1 (0.43) RENOPRK1MC4R
SCHEMBL29442117 0.88 MC4R (0.59) OPRK1NMUR2NMUR1MC4R
SCHEMBL29701316 0.88 ACE (0.49) SLC6A2OPRK1
SCHEMBL31239711 0.87 SLC6A2 (0.51) SLC6A2RENMC4RLNPEP

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
WO-2024132726-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO disclosed
Send feedback