SCHEMBL29667180

SCHEMBL29667180

CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 7/20 0.56
▸ NPY4R P50391 7/20 0.56
▸ NPY5R Q15761 7/20 0.56
▸ NPY1R P25929 5/20 0.56
▸ CALCR P30988 8/20 0.55
▸ RAMP3 O60896 6/20 0.55
▸ APLNR P35414 2/20 0.53
▸ C5AR1 P21730 1/20 0.53
▸ MAPK8 P45983 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ CXCR4 P61073 1/20 0.52

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
SCHEMBL31409140 0.92 APLNR (0.55) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29836372 0.89 C5AR1 (0.63) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL16212659 0.89 C5AR1 (0.54) APLNRC5AR1
SCHEMBL30504860 0.88 C5AR1 (0.52) APLNRC5AR1MAPK8MAPK9MAPK10
SCHEMBL30437136 0.87 NPY2R (0.61) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29678024 0.87 OPRM1 (0.58) CALCRAPLNRC5AR1
SCHEMBL38652641 0.87 F2 (0.59) NPY2RNPY4RNPY5RNPY1RCALCR
Lusupultide SCHEMBL29359370 0.87 CALCR (0.59) CALCRAPLNRC5AR1MAPK8MAPK9
SCHEMBL31005065 0.87 APLNR (0.55) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31409175 0.86 C5AR1 (0.53) APLNRC5AR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480233-B Bioactive peptide IAHPKLGKRIR, and preparation method and application thereof 上海交通大学 2022-05-27 — — CN claimed
CN-112480233-B Bioactive peptide IAHPKLGKRIR, and preparation method and application thereof 上海交通大学 2022-05-27 — — CN disclosed
CN-112480233-B Bioactive peptide IAHPKLGKRIR, and preparation method and application thereof 上海交通大学 2022-05-27 — — CN disclosed
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