SCHEMBL31300431

SCHEMBL31300431

N=C(N)NCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 1/20 0.58
▸ KISS1R Q969F8 4/20 0.57
▸ C5AR1 P21730 1/20 0.57
▸ CXCR4 P61073 3/20 0.55
▸ CTSL P07711 2/20 0.54
▸ CTSS P25774 2/20 0.54
▸ CTSK P43235 2/20 0.54
▸ CXCL8 P10145 5/20 0.53
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ NPY4R P50391 1/20 0.53
▸ NPY5R Q15761 1/20 0.53
▸ IL23R Q5VWK5 1/20 0.53
▸ MC4R P32245 1/20 0.53
▸ MC5R P33032 1/20 0.53
▸ MC3R P41968 1/20 0.53
▸ MC1R Q01726 1/20 0.53
▸ CTSH P09668 1/20 0.53

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
SCHEMBL29556709 0.91 C5AR1 (0.61) CCKBRKISS1RC5AR1IL23RMC4R
SCHEMBL29555997 0.90 C5AR1 (0.60) CCKBRKISS1RC5AR1IL23RMC4R
SCHEMBL30974438 0.87 CXCR4 (0.58) CCKBRKISS1RC5AR1CXCR4CTSL
SCHEMBL30518167 0.86 C5AR1 (0.69) C5AR1CXCR4IL23RMC4RMC5R
SCHEMBL31488939 0.85 KISS1R (0.63) KISS1RC5AR1CXCR4CXCL8NPY1R
SCHEMBL30566367 0.85 CXCR4 (0.59) CCKBRC5AR1CXCR4CTSLCTSS
SCHEMBL30566365 0.84 CXCR4 (0.58) CCKBRC5AR1CXCR4CTSLCTSS
SCHEMBL30607461 0.84 CXCR4 (0.60) CCKBRC5AR1CXCR4CTSLCTSS
SCHEMBL30381291 0.84 KISS1R (0.56) CCKBRKISS1RC5AR1CXCR4CTSL
SCHEMBL29725113 0.84 IL23R (0.62) CCKBRKISS1RC5AR1CXCR4CXCL8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994308-A Industrial preparation method of small peptide for promoting wound healing 广州优然生物科技有限公司 2024-11-22 — — CN claimed
CN-118994308-A Industrial preparation method of small peptide for promoting wound healing 广州优然生物科技有限公司 2024-11-22 — — CN disclosed
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