SCHEMBL29933882

SCHEMBL29933882

CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.56
NTSR2 O95665 3/20 0.55
NTSR1 P30989 3/20 0.55
SORT1 Q99523 3/20 0.55
F2 P00734 1/20 0.55
CALCRL Q16602 1/20 0.52
AGTR1 P30556 1/20 0.51
AGTR2 P50052 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
SCHEMBL31453289 0.86 SLC6A2 (0.63) NTSR2NTSR1SORT1
SCHEMBL30812510 0.85 OPRD1 (0.56) RENNTSR1
SCHEMBL30812504 0.85 OPRD1 (0.60) RENNTSR1
SCHEMBL27846710 0.84 F2 (0.60) RENNTSR2NTSR1SORT1F2
SCHEMBL1939264 0.84 F2 (0.60) RENNTSR2NTSR1SORT1F2
SCHEMBL1939266 0.84 F2 (0.60) RENNTSR2NTSR1SORT1F2
SCHEMBL13697492 0.83 CALCRL (0.56) RENF2CALCRL
SCHEMBL30973991 0.83 CALCRL (0.57) RENNTSR2NTSR1SORT1F2
SCHEMBL29602423 0.83 SLC6A2 (0.62) RENCALCRL
SCHEMBL30285014 0.82 MAPK8 (0.58) NTSR2NTSR1SORT1F2

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-2022197266-A1 BETA-LACTOGLOBULIN AND BETA-LACTOGLOBULIN DERIVED PEPTIDE PRODUCTS FROM GOAT MILK MARMARA UNIVERSITESI REKTORLUGU OZEL KALEM BİRİMİ (TR) 2022-09-22 WO disclosed