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SCHEMBL8780540

SCHEMBL8780540

CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CS)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(N)=O)C(C)O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.65
▸ F2 P00734 4/20 0.61
▸ MC4R P32245 1/20 0.61
▸ TFPI P10646 4/20 0.61
▸ RAMP3 O60896 1/20 0.60
▸ KEAP1 Q14145 1/20 0.59
▸ GLP1R P43220 3/20 0.58
▸ GCGR P47871 3/20 0.58

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
SCHEMBL29783623 0.91 CALCR (0.75) CALCRTFPIRAMP3GLP1RGCGR
SCHEMBL29783622 0.91 CALCR (0.75) CALCRTFPIRAMP3GLP1RGCGR
SCHEMBL30001479 0.90 CALCR (0.80) CALCRTFPIRAMP3GLP1R
SCHEMBL29783633 0.90 CALCR (0.69) CALCRTFPIRAMP3
SCHEMBL29783636 0.89 CALCR (0.73) CALCRTFPIRAMP3GLP1R
SCHEMBL29783631 0.89 CALCR (0.73) CALCRTFPIRAMP3GLP1R
SCHEMBL29783640 0.89 CALCR (0.73) CALCRTFPIRAMP3GLP1R
SCHEMBL29783629 0.89 CALCR (0.73) CALCRTFPIRAMP3GLP1R
SCHEMBL30607329 0.89 F2 (0.68) CALCRF2RAMP3GLP1RGCGR
SCHEMBL31182456 0.89 CALCR (0.66) CALCRF2RAMP3

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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