SCHEMBL30792437

SCHEMBL30792437

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.56
▸ NMUR1 Q9HB89 5/20 0.56
▸ RAMP3 O60896 3/20 0.56
▸ CALCR P30988 3/20 0.56
▸ KDM1A O60341 3/20 0.55
▸ MAOB P27338 1/20 0.55
▸ KDM5A P29375 1/20 0.55
▸ KDM1B Q8NB78 1/20 0.55
▸ TFPI P10646 4/20 0.53
▸ NPY2R P49146 3/20 0.53
▸ NPY4R P50391 3/20 0.53
▸ NPY5R Q15761 3/20 0.53
▸ NPY1R P25929 2/20 0.53
▸ EP300 Q09472 1/20 0.53
▸ HIF1A Q16665 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
SCHEMBL30974436 0.92 CALCRL (0.52) NMUR2NMUR1
SCHEMBL29586236 0.90 NTSR1 (0.62) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL31575684 0.89 KDM1A (0.56) RAMP3CALCRKDM1AMAOBKDM5A
SCHEMBL29395807 0.89 KDM1A (0.64) NMUR2NMUR1RAMP3CALCRKDM1A
SCHEMBL31187483 0.86 NMUR2 (0.63) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL29580601 0.86 CALCRL (0.57) NMUR2NMUR1KDM1AMAOBKDM5A
SCHEMBL29581453 0.86 CALCRL (0.57) NMUR2NMUR1KDM1AMAOBKDM5A
SCHEMBL29934272 0.86 NMUR2 (0.57) NMUR2NMUR1RAMP3CALCRNPY2R
SCHEMBL29574870 0.86 NTSR1 (0.63) NPY1R
SCHEMBL30015256 0.86 MAPK8 (0.56) NMUR2NMUR1KDM1AMAOBKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659155-A Casein sleep improvement decapeptide and preparation method and application thereof 华南理工大学 2024-03-08 — — CN claimed
CN-117659155-A Casein sleep improvement decapeptide and preparation method and application thereof 华南理工大学 2024-03-08 — — CN disclosed
CN-117659155-A Casein sleep improvement decapeptide and preparation method and application thereof 华南理工大学 2024-03-08 — — CN disclosed
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