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SCHEMBL8780545

SCHEMBL8780545

CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(N)CC(C)C)C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.64
▸ VIPR2 P41587 6/20 0.63
▸ VIPR1 P32241 4/20 0.63
▸ NPY4R P50391 7/20 0.58
▸ NPY5R Q15761 7/20 0.58
▸ NPY1R P25929 6/20 0.58
▸ NPY2R P49146 4/20 0.58
▸ BACE1 P56817 1/20 0.57
▸ BACE2 Q9Y5Z0 1/20 0.57
▸ HRAS P01112 1/20 0.57
▸ KRAS P01116 1/20 0.57
▸ SOS1 Q07889 1/20 0.57

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
SCHEMBL8780515 1.00 TFPI (0.64) TFPIVIPR2VIPR1NPY4RNPY5R
SCHEMBL29359930 0.99 VIPR2 (0.63) TFPIVIPR2VIPR1NPY4RNPY5R
SCHEMBL31277042 0.97 VIPR2 (0.66) TFPIVIPR2VIPR1NPY4RNPY5R
SCHEMBL31182801 0.93 VIPR2 (0.67) TFPIVIPR2VIPR1HRASKRAS
SCHEMBL30433086 0.93 TFPI (0.64) TFPIVIPR2VIPR1NPY4RNPY5R
SCHEMBL29522925 0.92 TFPI (0.70) TFPIVIPR2VIPR1NPY4RNPY5R
SCHEMBL9437230 0.91 VIPR2 (0.64) TFPIVIPR2VIPR1NPY4RNPY5R
SCHEMBL29489541 0.91 VIPR1 (0.63) TFPIVIPR2VIPR1BACE1BACE2
SCHEMBL30929947 0.91 VIPR2 (0.68) TFPIVIPR2VIPR1NPY4RNPY5R
SCHEMBL30607388 0.91 VIPR1 (0.64) TFPIVIPR2VIPR1NPY4RNPY5R

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