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Sugi Predict / Compounds / Octreotide

Octreotide

Octreotide

SCHEMBL6066965

CC(O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O.CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SSTR1SSTR2SSTR3SSTR4SSTR5

The experimentally established mechanism targets of Octreotide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SSTR2 known ✓ P30874 15/20 0.73
▸ SSTR5 known ✓ P35346 13/20 0.73
▸ SSTR4 known ✓ P31391 10/20 0.73
▸ SSTR3 known ✓ P32745 5/20 0.68
▸ SSTR1 known ✓ P30872 2/20 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
Octreotide SCHEMBL2830104 0.87 SSTR2 (0.95) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL17404705 0.85 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL21840389 0.85 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL18823378 0.85 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL10044649 0.85 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL23424109 0.85 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL17404479 0.85 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL21944070 0.85 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL18823377 0.85 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL15856937 0.85 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006017417-A9 COMPOSITIONS AND METHODS FOR THE ENHANCEMENT OF CHEMOTHERAPY WITH MICROBIAL CYTOTOXINS PRO PHARMACEUTICALS INC (US) 2006-03-30 — — WO disclosed