SCHEMBL30953200

SCHEMBL30953200

CCCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 7/20 0.55
▸ NMUR1 Q9HB89 7/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ EPHA2 P29317 2/20 0.54
▸ APLNR P35414 1/20 0.54
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ RAMP3 O60896 3/20 0.53
▸ CALCR P30988 3/20 0.53
▸ C5AR1 P21730 1/20 0.51
▸ NTSR2 O95665 1/20 0.51
▸ NTSR1 P30989 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
SCHEMBL30953195 0.91 SLC6A2 (0.61) NMUR2NMUR1SLC6A2EPHA2NTSR2
SCHEMBL30953197 0.89 SLC6A2 (0.58) SLC6A2EPHA2C5AR1NTSR2NTSR1
SCHEMBL30953192 0.89 SLC6A2 (0.58) SLC6A2EPHA2C5AR1NTSR2NTSR1
SCHEMBL30953198 0.88 SLC6A2 (0.62) NMUR2NMUR1SLC6A2EPHA2RAMP3
SCHEMBL31307234 0.87 EPHA2 (0.61) NMUR2NMUR1SLC6A2EPHA2RAMP3
SCHEMBL30953193 0.87 SLC6A2 (0.59) SLC6A2EPHA2C5AR1NTSR2NTSR1
SCHEMBL30953205 0.87 SLC6A2 (0.59) SLC6A2EPHA2C5AR1NTSR2NTSR1
SCHEMBL30953190 0.86 SLC6A2 (0.55) SLC6A2NTSR2NTSR1
SCHEMBL30558096 0.86 SLC6A2 (0.60) NMUR2NMUR1SLC6A2EPHA2C5AR1
SCHEMBL31415963 0.85 EPHA2 (0.62) NMUR2NMUR1SLC6A2EPHA2RAMP3

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-118178252-A Application of sea cucumber tetrapeptide and its derivatives in cosmetics 上海湃肽生物科技有限公司 2024-06-14 — — CN disclosed
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