SCHEMBL30893567

SCHEMBL30893567

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 7/20 0.56
▸ IL23R Q5VWK5 3/20 0.55
▸ NPY2R P49146 3/20 0.54
▸ GHSR Q92847 2/20 0.54
▸ NPBWR1 P48145 2/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.52
▸ GLP1R P43220 1/20 0.52
▸ GCGR P47871 1/20 0.52
▸ GIPR P48546 1/20 0.52
▸ NPY4R P50391 3/20 0.52
▸ NPY1R P25929 2/20 0.52
▸ NPY5R Q15761 2/20 0.52
▸ ERAP2 Q6P179 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
SCHEMBL30505873 0.97 NPBWR1 (0.57) KISS1RIL23RNPY2RGHSRNPBWR1
SCHEMBL30130558 0.97 KISS1R (0.58) KISS1RIL23RNPY2RGHSRNPBWR1
SCHEMBL30130565 0.97 KISS1R (0.58) KISS1RIL23RNPY2RGHSRNPBWR1
SCHEMBL30092896 0.97 KISS1R (0.56) KISS1RIL23RNPY2RGHSRNPBWR1
SCHEMBL30092916 0.97 KISS1R (0.58) KISS1RIL23RNPY2RGHSRNPBWR1
SCHEMBL30893566 0.97 KISS1R (0.58) KISS1RIL23RNPY2RGHSRNPBWR1
SCHEMBL30092950 0.97 KISS1R (0.56) KISS1RIL23RNPY2RGHSRNPBWR1
SCHEMBL30093019 0.97 KISS1R (0.58) KISS1RIL23RNPY2RGHSRNPBWR1
SCHEMBL30130542 0.97 IL23R (0.55) KISS1RIL23RGHSR
SCHEMBL30130526 0.97 IL23R (0.55) KISS1RIL23RGHSR

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-118027141-A Antimicrobial peptide constructed based on rational analysis de novo design, derivative and application thereof 福州大学 2024-05-14 — — CN disclosed
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