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Sugi Predict / Compounds / SCHEMBL30335928

SCHEMBL30335928

SCHEMBL30335928

CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.68
▸ OPRM1 P35372 4/20 0.63
▸ OPRD1 P41143 4/20 0.63
▸ NMUR2 Q9GZQ4 5/20 0.61
▸ NMUR1 Q9HB89 5/20 0.61
▸ C5AR1 P21730 1/20 0.60
▸ TFPI P10646 4/20 0.58
▸ RAMP3 O60896 1/20 0.57
▸ CALCR P30988 1/20 0.57
▸ NPY1R P25929 1/20 0.56
▸ NPY2R P49146 1/20 0.56
▸ NPY4R P50391 1/20 0.56
▸ NPY5R Q15761 1/20 0.56
▸ AGTR1 P30556 1/20 0.55
▸ AGTR2 P50052 1/20 0.55

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
SCHEMBL30327403 1.00 EPHA2 (0.68) EPHA2OPRM1OPRD1NMUR2NMUR1
SCHEMBL32670411 0.99 EPHA2 (0.68) EPHA2OPRM1OPRD1NMUR2NMUR1
SCHEMBL30335630 0.91 NMUR2 (0.64) EPHA2NMUR2NMUR1TFPIRAMP3
SCHEMBL30327420 0.91 EPHA2 (0.69) EPHA2OPRM1OPRD1NMUR2NMUR1
SCHEMBL31707403 0.89 CXCR4 (0.62) EPHA2NMUR2NMUR1TFPIRAMP3
SCHEMBL30432086 0.89 RAMP3 (0.63) EPHA2NMUR2NMUR1TFPIRAMP3
SCHEMBL32677401 0.89 NMUR2 (0.62) EPHA2OPRM1OPRD1NMUR2NMUR1
SCHEMBL31012332 0.88 TFPI (0.63) NMUR2NMUR1TFPICALCRNPY1R
SCHEMBL31285757 0.87 NMUR2 (0.68) EPHA2OPRM1OPRD1NMUR2NMUR1
SCHEMBL30607338 0.87 NPY2R (0.64) EPHA2NMUR2NMUR1TFPIRAMP3

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
EP-4415744-A1 PEPTIDES AND FRAGMENTS FOR TREATING DIABETES AND ASSOCIATED METABOLIC DISEASES Betavive Ltd. (IL) 2024-08-21 — — EP disclosed
CN-118369109-A Peptides and fragments for the treatment of diabetes and related metabolic disorders 贝塔维有限公司 2024-07-19 — — CN disclosed
WO-2023062545-A1 PEPTIDES AND FRAGMENTS FOR TREATING DIABETES AND ASSOCIATED METABOLIC DISEASES BETAVIVE LTD. (IL) 2023-04-20 — — WO disclosed
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