SCHEMBL30423478

SCHEMBL30423478

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 7/20 0.55
▸ NTSR2 O95665 6/20 0.55
▸ REN P00797 1/20 0.54
▸ F2 P00734 4/20 0.54
▸ AGTR1 P30556 1/20 0.53
▸ AGTR2 P50052 1/20 0.53
▸ BACE1 P56817 2/20 0.53
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ SORT1 Q99523 4/20 0.51
▸ CALCRL Q16602 1/20 0.51
▸ CXCL8 P10145 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
SCHEMBL30422932 0.93 NTSR2 (0.57) NTSR1NTSR2RENF2SORT1
SCHEMBL31167350 0.92 NTSR1 (0.56) NTSR1NTSR2RENF2AGTR1
SCHEMBL30974085 0.89 NTSR1 (0.53) NTSR1F2CALCRLCXCL8
SCHEMBL30094362 0.86 SLC6A2 (0.54) RENCXCL8
SCHEMBL30576927 0.86 CALCR (0.65) BACE1MAPK8MAPK9MAPK10
SCHEMBL31548690 0.85 CALCRL (0.58) AGTR1AGTR2BACE1CALCRL
SCHEMBL30637760 0.85 NTSR1 (0.64) NTSR1NTSR2AGTR1AGTR2SORT1
SCHEMBL29860392 0.85 NTSR1 (0.64) NTSR1NTSR2AGTR1AGTR2SORT1
SCHEMBL30974363 0.84 NTSR1 (0.56) NTSR1CALCRLCXCL8
SCHEMBL30476536 0.84 NTSR2 (0.57) NTSR1NTSR2F2AGTR1AGTR2

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-113730549-B Application of milk-derived active peptide CCL-1S in preparation of sleep-promoting product 华南农业大学 2023-05-23 — — CN disclosed
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