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Octreotide

Octreotide

SCHEMBL320745

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.C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O

nearest known ligand 0.76

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 0.76
▸ SSTR5 known ✓ P35346 14/20 0.76
▸ SSTR4 known ✓ P31391 9/20 0.76
▸ SSTR3 known ✓ P32745 5/20 0.69
▸ SSTR1 known ✓ P30872 2/20 0.60

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 0.93 SSTR2 (0.74) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL2435867 0.92 SSTR2 (0.71) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL16896858 0.89 SSTR2 (0.72) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL725387 0.89 SSTR2 (0.73) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL15135020 0.87 SSTR2 (0.70) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL15570084 0.87 SSTR2 (0.65) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL23424109 0.87 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL17404479 0.87 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL18823377 0.87 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL21840389 0.87 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683715-A1 PYRIDO [2, 3 - B]PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES Merck Patent GmbH (DE) 2014-01-15 — — EP disclosed
EP-2590946-A1 BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES Merck Patent GmbH (DE) 2013-05-15 — — EP disclosed
WO-2012119690-A1 PYRIDO [2, 3 - B] PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES MERCK PATENT GMBH (DE) 2012-09-13 — — WO disclosed
EP-2414346-A1 AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 — — EP disclosed
EP-2414330-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 — — EP disclosed
WO-2012003912-A1 BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES MERCK PATENT GMBH (DE) 2012-01-12 — — WO disclosed
EP-2373640-A1 NOVEL POLYMORPHIC FORMS OF 3-(1-{3-[5-(1-METHYL-PIPERIDIN-4YLMETHOXY)-PYRIMIDIN-2-YL]-BENZYL}-6-OXO-1,6-DIHYDRO-PYRIDAZIN-3-YL)-BENZONITRILE HYDROCHLORIDE SALT AND PROCESSES OF MANUFACTURING THEREOF Merck Patent GmbH (DE) 2011-10-12 — — EP disclosed
EP-2361250-A1 NOVEL POLYMORPHIC FORMS OF 6-(1-METHYL-1H-PYRAZOL-4-YL)-2-{3-[5-(2-MORPHOLIN-4-YL-ETHOXY)-PYRIMIDIN-2-YL]-BENZYL}-2H-PYRIDAZIN-3-ONE DIHYDROGENPHOSPHATE AND PROCESSES OF MANUFACTURING THEREOF Merck Patent GmbH (DE) 2011-08-31 — — EP disclosed
EP-2352732-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO Ý4, 3-D¨PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER Merck Patent GmbH (DE) 2011-08-10 — — EP disclosed
WO-2010115491-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-14 — — WO disclosed
WO-2010112124-A1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-07 — — WO disclosed
WO-2010078897-A1 NOVEL POLYMORPHIC FORMS OF 3-(1-{3-[5-(1-METHYL-PIPERIDIN-4YLMETHOXY)-PYRIMIDIN-2-YL]-BENZYL}-6-OXO-1,6-DIHYDRO-PYRIDAZIN-3-YL)-BENZONITRILE HYDROCHLORIDE SALT AND PROCESSES OF MANUFACTURING THEREOF MERCK PATENT GMBH (DE) 2010-07-15 — — WO disclosed
WO-2010072295-A1 NOVEL POLYMORPHIC FORMS OF 6-(1-METHYL-1H-PYRAZOL-4-YL)-2-{3-[5-(2-MORPHOLIN-4-YL-ETHOXY)-PYRIMIDIN-2-YL]-BENZYL}-2H-PYRIDAZIN-3-ONE DIHYDROGENPHOSPHATE AND PROCESSES OF MANUFACTURING THEREOF MERCK PATENT GMBH (DE) 2010-07-01 — — WO disclosed
WO-2010063352-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GMBH (DE) 2010-06-10 — — WO disclosed