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SCHEMBL8780541

SCHEMBL8780541

CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CO)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 5/20 0.58
▸ EPHA2 P29317 2/20 0.56
▸ EP300 Q09472 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ RAMP3 O60896 1/20 0.55
▸ CALCR P30988 1/20 0.55
▸ NTSR1 P30989 2/20 0.55
▸ NMUR2 Q9GZQ4 3/20 0.54
▸ NMUR1 Q9HB89 3/20 0.54
▸ TFPI P10646 1/20 0.54
▸ NTSR2 O95665 1/20 0.54
▸ OPRM1 P35372 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

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 0.93 NTSR1 (0.59) OPRD1EPHA2RAMP3CALCRNTSR1
SCHEMBL8780556 0.93 NTSR1 (0.59) OPRD1EPHA2RAMP3CALCRNTSR1
SCHEMBL30137653 0.87 TFPI (0.69) EPHA2NMUR2NMUR1TFPI
SCHEMBL30712788 0.87 EP300 (0.56) EPHA2EP300HIF1ANTSR1NMUR2
SCHEMBL31441008 0.86 CXCR4 (0.63) NPY1RNPY2RNPY4RNPY5R
SCHEMBL30753221 0.86 NMUR2 (0.61) OPRD1EPHA2NTSR1NMUR2NMUR1
SCHEMBL31511426 0.85 MAPK8 (0.57) OPRD1EPHA2NTSR1NMUR2NMUR1
SCHEMBL23278082 0.85 NMUR2 (0.64) OPRD1NTSR1NMUR2NMUR1NPY1R
SCHEMBL30883213 0.85 NMUR2 (0.64) EP300HIF1ARAMP3CALCRNMUR2
SCHEMBL29389211 0.85 NMUR2 (0.64) OPRD1NTSR1NMUR2NMUR1NPY1R

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-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
WO-1994005311-A1 RETRO-, INVERSO-, AND RETRO-INVERSO SYNTHETIC PEPTIDE ANALOGUES DEAKIN RESEARCH LIMITED (AU) 1994-03-17 — — WO disclosed
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