SCHEMBL30525422

SCHEMBL30525422

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CS)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.57
▸ NTSR1 P30989 4/20 0.55
▸ NTSR2 O95665 1/20 0.55
▸ OPRD1 P41143 4/20 0.55
▸ OPRM1 P35372 2/20 0.55
▸ NMUR2 Q9GZQ4 3/20 0.54
▸ NMUR1 Q9HB89 3/20 0.54
▸ 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
SCHEMBL30402825 0.92 NTSR1 (0.65) NTSR1NTSR2OPRD1
SCHEMBL30712780 0.90 NPY2R (0.58) EPHA2NMUR2NMUR1NPY2RNPY4R
SCHEMBL32676360 0.89 EP300 (0.59) EPHA2NMUR2NMUR1NPY2RNPY4R
SCHEMBL30712788 0.89 EP300 (0.56) EPHA2NTSR1NTSR2NMUR2NMUR1
SCHEMBL30963695 0.86 MAPK8 (0.58) EPHA2NTSR1NMUR2NMUR1NPY2R
SCHEMBL30872521 0.86 NTSR1 (0.67) NTSR1NTSR2OPRD1
SCHEMBL29864847 0.86 OPRM1 (0.62) EPHA2OPRD1OPRM1NMUR2NMUR1
SCHEMBL29865041 0.86 OPRM1 (0.62) EPHA2OPRD1OPRM1NMUR2NMUR1
SCHEMBL29865083 0.86 OPRM1 (0.62) EPHA2OPRD1OPRM1NMUR2NMUR1
SCHEMBL29864861 0.85 OPRM1 (0.59) EPHA2NTSR1OPRD1OPRM1NMUR2

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
US-11718687-B2 Biomoletron for regulation stem cell differentiation SOGANGN UNIVERSITY RESEARCH FOUNDATION (KR) 2023-08-08 — — US claimed
WO-2023191209-A1 MICELLE INCLUDING HYDROPHILIC PEPTIDE AND USE THEREOF 주식회사 퓨전바이오텍 2023-10-05 — — WO disclosed
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