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Sugi Predict / Compounds / Octreotide

Octreotide

Octreotide

SCHEMBL2435867

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.CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.71

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 13/20 0.71
▸ SSTR5 known ✓ P35346 13/20 0.71
▸ SSTR4 known ✓ P31391 9/20 0.71
▸ SSTR3 known ✓ P32745 5/20 0.65
▸ SSTR1 known ✓ P30872 2/20 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
Octreotide SCHEMBL19816086 0.94 SSTR2 (0.74) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL320745 0.92 SSTR2 (0.76) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL15570084 0.88 SSTR2 (0.65) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL18823377 0.84 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL21944070 0.84 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL23424109 0.84 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL17404479 0.84 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL21840389 0.84 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL17404705 0.84 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL15856937 0.84 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3672951-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 — — EP disclosed
EP-3672952-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 — — EP disclosed
EP-3661941-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-06-10 — — EP disclosed
WO-2019038214-A1 QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 — — WO disclosed
WO-2019038215-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 — — WO disclosed
WO-2019025099-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-07 — — WO disclosed
EP-2994471-A1 MACROCYCLES AS KINASE INHIBITORS Merck Patent GmbH (DE) 2016-03-16 — — EP disclosed
EP-2976328-A1 PIPERAZINE DERIVATIVES AS FASN INHIBITORS Merck Patent GmbH (DE) 2016-01-27 — — EP disclosed
EP-2964648-A1 9-(ARYL OR HETEROARYL)-2-(PYRAZOLYL, PYRROLIDINYL OR CYCLOPENTYL)AMINOPURINE DERIVATIVES AS ANTICANCER AGENTS Merck Patent GmbH (DE) 2016-01-13 — — EP disclosed
EP-2920146-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES Merck Patent GmbH (DE) 2015-09-23 — — EP disclosed
WO-2014044356-A1 HYDROPYRROLOPYRROLE DERIVATIVES FOR USE AS FATTY ACID SYNTHASE INHIBITORS MERCK PATENT GMBH (DE) 2014-03-27 — — WO disclosed
WO-2014023385-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-02-13 — — WO disclosed
WO-2014023390-A2 (AZA-)ISOQUINOLINONE DERIVATIVES MERCK PATENT GMBH (DE) 2014-02-13 — — WO disclosed
WO-2013143663-A1 BICYCLIC PYRAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-03 — — WO disclosed
WO-2013131609-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-09-12 — — WO disclosed
WO-2013126132-A1 CYCLIC DIAMINOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-29 — — WO disclosed
EP-2367822-A1 TRICYCLIC AZAINDOLES Merck Patent GmbH (DE) 2011-09-28 — — EP disclosed
EP-2367821-A1 C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2011-09-28 — — EP disclosed
WO-2010080253-A1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2010-07-15 — — WO disclosed
WO-2010077530-A1 C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2010-07-08 — — WO disclosed