SCHEMBL30093002

SCHEMBL30093002

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.55
▸ KISS1R Q969F8 2/20 0.47
▸ ACE P12821 2/20 0.46
▸ GLP1R P43220 3/20 0.46
▸ CTSL P07711 2/20 0.46
▸ CTSS P25774 2/20 0.46
▸ CTSK P43235 2/20 0.46
▸ ECE1 P42892 2/20 0.46
▸ CTSH P09668 1/20 0.46
▸ CD47 Q08722 1/20 0.46
▸ KEAP1 Q14145 1/20 0.45
▸ ERAP2 Q6P179 1/20 0.45
▸ PRMT1 Q99873 1/20 0.45

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
SCHEMBL30093071 0.96 C5AR1 (0.54) C5AR1KISS1RGLP1RCTSLCTSS
SCHEMBL30093087 0.95 C5AR1 (0.60) C5AR1GLP1RCD47
SCHEMBL30130533 0.95 C5AR1 (0.55) C5AR1KISS1RGLP1RCTSLCTSS
SCHEMBL31091318 0.94 C5AR1 (0.48) C5AR1ACECTSLCTSSCTSK
SCHEMBL30130567 0.94 C5AR1 (0.61) C5AR1GLP1RCD47
SCHEMBL30130535 0.94 C5AR1 (0.61) C5AR1GLP1RCD47
SCHEMBL30093062 0.92 ACE (0.54) KISS1RACEECE1ERAP2PRMT1
SCHEMBL30092955 0.92 ACE (0.54) KISS1RACEECE1ERAP2PRMT1
SCHEMBL30093093 0.92 ACE (0.54) KISS1RACEECE1ERAP2PRMT1
SCHEMBL30093067 0.92 ACE (0.54) KISS1RACEECE1ERAP2PRMT1

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-115397836-A Novel antibacterial peptide and application thereof 安尼根有限公司 2022-11-25 — — CN claimed
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