SCHEMBL30218268

SCHEMBL30218268

CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 19/20 0.53
▸ C5AR1 P21730 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
SCHEMBL30080575 0.94 C5AR1 (0.51) KISS1RC5AR1
SCHEMBL29476409 0.93 KISS1R (0.54) KISS1R
SCHEMBL29808227 0.91 KISS1R (0.53) KISS1R
SCHEMBL31555126 0.91 MC4R (0.49) KISS1RC5AR1
SCHEMBL30725663 0.91 MC4R (0.49) KISS1RC5AR1
SCHEMBL30264983 0.90 C5AR1 (0.51) KISS1RC5AR1
SCHEMBL30615767 0.90 KISS1R (0.55) KISS1R
SCHEMBL30264726 0.90 GHSR (0.53) KISS1RC5AR1
SCHEMBL29476431 0.90 GHSR (0.53) KISS1RC5AR1
SCHEMBL29476499 0.90 MC4R (0.50) KISS1RC5AR1

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-115626952-A Shellfish antibacterial peptide B1-alpha and application thereof 浙江海洋大学 2023-01-20 — — CN disclosed
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