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Sugi Predict / Compounds / Octreotide

Octreotide

Octreotide

SCHEMBL16896858

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C.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

nearest known ligand 0.72

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 14/20 0.72
▸ SSTR5 known ✓ P35346 14/20 0.72
▸ SSTR4 known ✓ P31391 9/20 0.72
▸ SSTR3 known ✓ P32745 5/20 0.65
▸ 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 SCHEMBL15135020 0.94 SSTR2 (0.70) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL320745 0.89 SSTR2 (0.76) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL19816086 0.85 SSTR2 (0.74) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL15856937 0.85 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL21840389 0.85 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL23424109 0.85 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL17404705 0.85 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL21944070 0.85 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL18823378 0.85 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL17404626 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3645041-A1 ANTI-MERTK AGONISTIC ANTIBODY-DRUG CONJUGATES AND USES THEREOF The Rockefeller University (US) 2020-05-06 — — EP disclosed
EP-3638320-A2 IGF-1R MONOCLONAL ANTIBODIES AND USES THEREOF Fusion Pharmaceuticals Inc. (CA) 2020-04-22 — — EP disclosed
EP-3619191-A1 PHARMACOKINETIC ENHANCEMENTS OF BIFUNCTIONAL CHELATES AND USES THEREOF Fusion Pharmaceuticals Inc. (CA) 2020-03-11 — — EP disclosed
WO-2019005756-A1 ANTI-MERTK AGONISTIC ANTIBODY-DRUG CONJUGATES AND USES THEREOF THE ROCKEFELLER UNIVERSITY (US) 2019-01-03 — — WO disclosed
WO-2018204869-A1 PHARMACOKINETIC ENHANCEMENTS OF BIFUNCTIONAL CHELATES AND USES THEREOF Fusion Pharmaceuticals Inc. (CA) 2018-11-08 — — WO disclosed
WO-2018204872-A2 IGF-1R MONOCLONAL ANTIBODIES AND USES THEREOF Fusion Pharmaceuticals Inc. (CA) 2018-11-08 — — WO disclosed
WO-2018160178-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF B-GUANIDINOPROPIONIC ACID WITH IMPROVED PROPERTIES AND USES THEREOF RGENIX, INC. (US) 2018-09-07 — — WO disclosed
EP-3340973-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF -GUANIDINOPROPIONIC ACID WITH IMPROVED PROPERTIES AND USES THEREOF Rgenix, Inc. (US) 2018-07-04 — — EP disclosed
EP-3237450-A1 ANTI-MERTK AGONISTIC ANTIBODIES AND USES THEREOF The Rockefeller University (US) 2017-11-01 — — EP disclosed
EP-3137447-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Rgenix, Inc. (US) 2017-03-08 — — EP disclosed
WO-2017035331-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF β-GUANIDINOPROPIONIC ACID WITH IMPROVED PROPERTIES AND USES THEREOF RGENIX, INC. (US) 2017-03-02 — — WO disclosed
EP-3091970-A1 LXR AGONISTS AND USES THEREOF Rgenix, Inc. (US) 2016-11-16 — — EP disclosed
WO-2016176636-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX, INC. (US) 2016-11-03 — — WO disclosed
WO-2016106221-A1 ANTI-MERTK AGONISTIC ANTIBODIES AND USES THEREOF THE ROCKEFELLER UNIVERSITY (US) 2016-06-30 — — WO disclosed
WO-2015168465-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX, INC. (US) 2015-11-05 — — WO disclosed
WO-2015106164-A1 LXR AGONISTS AND USES THEREOF RGENIX, INC. (US) 2015-07-16 — — WO disclosed