SCHEMBL8780556

SCHEMBL8780556

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 3/20 0.59
▸ OPRD1 P41143 4/20 0.57
▸ NTSR2 O95665 1/20 0.55
▸ EPHA2 P29317 2/20 0.55
▸ KEAP1 Q14145 3/20 0.55
▸ TFPI P10646 1/20 0.54
▸ NMUR2 Q9GZQ4 1/20 0.54
▸ NMUR1 Q9HB89 1/20 0.54
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ NPY4R P50391 1/20 0.53
▸ NPY5R Q15761 1/20 0.53
▸ RAMP3 O60896 1/20 0.53
▸ CALCR P30988 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
SCHEMBL8780544 1.00 NTSR1 (0.59) NTSR1OPRD1NTSR2EPHA2KEAP1
SCHEMBL8780541 0.93 OPRD1 (0.58) NTSR1OPRD1NTSR2EPHA2TFPI
SCHEMBL31519869 0.87 OPRD1 (0.64) NTSR1OPRD1NTSR2
SCHEMBL30137653 0.86 TFPI (0.69) EPHA2TFPINMUR2NMUR1
SCHEMBL31511426 0.86 MAPK8 (0.57) NTSR1OPRD1NTSR2EPHA2KEAP1
SCHEMBL30312779 0.86 NTSR1 (0.72) NTSR1NTSR2NPY1R
SCHEMBL29553166 0.85 NPY2R (0.59) NTSR1TFPINMUR2NMUR1NPY1R
SCHEMBL9807257 0.85 NTSR1 (0.62) NTSR1NTSR2EPHA2NPY1R
SCHEMBL30186407 0.84 EPHA2 (0.58) EPHA2TFPINMUR2NMUR1NPY1R
SCHEMBL30302482 0.84 NMUR2 (0.62) OPRD1EPHA2TFPINMUR2NMUR1

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
EP-0667786-A4 RETRO-, INVERSO-, AND RETRO-INVERSO SYNTHETIC PEPTIDE ANALOGUES. DEAKIN RES LTD (AU) 1997-08-06 — — EP disclosed
EP-0667786-A1 RETRO-, INVERSO-, AND RETRO-INVERSO SYNTHETIC PEPTIDE ANALOGUES DEAKIN RESEARCH LIMITED (AU) 1995-08-23 — — EP disclosed
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