SCHEMBL31514062

SCHEMBL31514062

CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.44
▸ NAA50 Q9GZZ1 1/20 0.42
▸ NTSR2 O95665 5/20 0.42
▸ NTSR1 P30989 5/20 0.42
▸ CALCRL Q16602 3/20 0.41
▸ RAMP1 O60894 1/20 0.41
▸ BACE1 P56817 3/20 0.40
▸ CALCR P30988 3/20 0.40
▸ SORT1 Q99523 4/20 0.39
▸ CTSD P07339 1/20 0.39
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ PGGT1B P53609 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ F2 P00734 1/20 0.39

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
SCHEMBL31451131 0.81 NTSR1 (0.48) NTSR2NTSR1BACE1SORT1F2
SCHEMBL29679669 0.79 CALCRL (0.43) NTSR2NTSR1CALCRLRAMP1CALCR
SCHEMBL30512622 0.78 CALCRL (0.48) NTSR1CALCRLRAMP1BACE1CALCR
SCHEMBL38658470 0.78 NTSR2 (0.46) NTSR2NTSR1SORT1
SCHEMBL25524242 0.78 AGTR2 (0.50) PTPN1NTSR2NTSR1CALCRLSORT1
SCHEMBL29590519 0.78 NAA50 (0.47) NAA50CALCRLRAMP1FNTAFNTB
SCHEMBL13138434 0.77 FNTA (0.50) CALCRLFNTAFNTBPGGT1B
SCHEMBL30904441 0.77 CALCRL (0.57) NTSR2NTSR1CALCRLRAMP1BACE1
SCHEMBL31191417 0.77 NAA50 (0.51) PTPN1NAA50NTSR2NTSR1CALCR
SCHEMBL31191288 0.77 NAA50 (0.51) NAA50NTSR2NTSR1CALCRSORT1

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-119613489-A In-situ self-assembled polypeptide bonding medicine and nano regulator, and preparation method and application thereof 中国科学院上海药物研究所 2025-03-14 — — CN disclosed
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