SCHEMBL30420176

SCHEMBL30420176

CC[C@H](C)[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 8/20 0.56
▸ PTH1R Q03431 1/20 0.55
▸ NPBWR1 P48145 3/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.53
▸ GHSR Q92847 1/20 0.53
▸ SLC2A1 P11166 2/20 0.52
▸ GLP1R P43220 2/20 0.52
▸ ECE1 P42892 1/20 0.52
▸ MUS81 Q96NY9 1/20 0.52
▸ GCGR P47871 1/20 0.52
▸ GIPR P48546 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
SCHEMBL29845701 1.00 KISS1R (0.56) KISS1RPTH1RNPBWR1RXFP1GHSR
SCHEMBL29845225 1.00 KISS1R (0.56) KISS1RPTH1RNPBWR1RXFP1GHSR
SCHEMBL30420626 0.93 KISS1R (0.55) KISS1RPTH1R
SCHEMBL30543287 0.92 PTH1R (0.57) KISS1RPTH1RRXFP1SLC2A1GLP1R
SCHEMBL31279646 0.92 PTH1R (0.57) KISS1RPTH1RRXFP1SLC2A1GLP1R
SCHEMBL31743242 0.92 GLP1R (0.61) KISS1RPTH1RGLP1RECE1MUS81
SCHEMBL30817666 0.92 KISS1R (0.60) KISS1RNPBWR1SLC2A1GLP1RECE1
SCHEMBL30817665 0.92 KISS1R (0.60) KISS1RNPBWR1SLC2A1GLP1RECE1
SCHEMBL30860128 0.91 GLP1R (0.60) KISS1RPTH1RGLP1RECE1MUS81
SCHEMBL30093061 0.90 RXFP1 (0.57) KISS1RPTH1RNPBWR1RXFP1GLP1R

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-115028703-B Enzymolysis-resistant antibacterial peptide U1-2WD and preparation method and application thereof 东北农业大学 2023-06-30 — — CN claimed
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