SCHEMBL29419957

SCHEMBL29419957

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

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 6/20 0.63
▸ KISS1R Q969F8 7/20 0.57
▸ PLAU P00749 1/20 0.54
▸ PLAUR Q03405 1/20 0.54
▸ GHSR Q92847 1/20 0.54

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
SCHEMBL28235858 0.96 ACE (0.57) MC4R
SCHEMBL29476543 0.95 MC4R (0.68) MC4RKISS1RGHSR
SCHEMBL30028772 0.94 MC4R (0.57) MC4RKISS1R
SCHEMBL13604887 0.94 MC4R (0.57) MC4RKISS1R
SCHEMBL29672131 0.92 NPY1R (0.56) MC4RKISS1RGHSR
SCHEMBL30919236 0.92 KISS1R (0.55) MC4RKISS1RGHSR
SCHEMBL30919241 0.92 KISS1R (0.55) MC4RKISS1RGHSR
SCHEMBL29476649 0.92 MC4R (0.54) MC4RKISS1R
SCHEMBL29511119 0.92 MC4R (0.54) MC4RKISS1R
SCHEMBL31249518 0.91 MC4R (0.55) MC4RKISS1RGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249797-B GSDMD protein RFWK motif-based small molecule polypeptide drug and preparation method and application thereof 南京医科大学 2024-01-23 — — CN claimed
CN-114249797-A Small molecule polypeptide medicament based on GSDMD protein RFWK motif and preparation method and application thereof 南京医科大学 2022-03-29 — — CN claimed
CN-114249797-B GSDMD protein RFWK motif-based small molecule polypeptide drug and preparation method and application thereof 南京医科大学 2024-01-23 — — CN disclosed
CN-114249797-A Small molecule polypeptide medicament based on GSDMD protein RFWK motif and preparation method and application thereof 南京医科大学 2022-03-29 — — CN disclosed
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