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Sugi Predict / Compounds / Leuprolide

Leuprolide

Leuprolide

SCHEMBL2428076

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1.C[S+](C)[O-]

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GNRHR

The experimentally established mechanism targets of Leuprolide. 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
▸ GNRHR known ✓ P30968 2/20 0.84
▸ ABCC2 Q92887 1/20 0.82
▸ PTGS1 P23219 1/20 0.77
▸ APLNR P35414 4/20 0.63
▸ CXCR4 P61073 1/20 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
Leuprolide SCHEMBL4414320 0.99 ABCC2 (0.84) GNRHRABCC2PTGS1APLNRCXCR4
Deslorelin SCHEMBL1649660 0.98 GNRHR (0.86) GNRHRABCC2PTGS1APLNRCXCR4
Leuprolide SCHEMBL10061885 0.98 GNRHR (0.86) GNRHRABCC2PTGS1APLNRCXCR4
Leuprolide SCHEMBL21540132 0.98 GNRHR (0.86) GNRHRABCC2PTGS1APLNRCXCR4
Leuprolide SCHEMBL7751433 0.98 GNRHR (0.86) GNRHRABCC2PTGS1APLNRCXCR4
Leuprolide SCHEMBL4585 0.98 GNRHR (0.86) GNRHRABCC2PTGS1APLNRCXCR4
Leuprolide SCHEMBL3915060 0.98 GNRHR (0.86) GNRHRABCC2PTGS1APLNRCXCR4
Leuprolide SCHEMBL6448301 0.98 GNRHR (0.86) GNRHRABCC2PTGS1APLNRCXCR4
SCHEMBL21109135 0.97 GNRHR (0.84) GNRHRABCC2PTGS1APLNRCXCR4
Leuprolide SCHEMBL570851 0.97 ABCC2 (0.87) GNRHRABCC2PTGS1APLNRCXCR4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8535701-B2 Sustained delivery of an active agent using an implantable system INTARCIA THERAPEUTICS, INC. (US) 2013-09-17 — — US disclosed
US-20130035669-A1 SUSTAINED DELIVERY OF AN ACTIVE AGENT USING AN IMPLANTABLE SYSTEM INTARCIA THERAPEUTICS, INC. (US) 2013-02-07 — — US disclosed
US-8298562-B2 Sustained delivery of an active agent using an implantable system INTARCIA THERAPEUTICS, INC. (US) 2012-10-30 — — US disclosed
US-20110230865-A1 SUSTAINED DELIVERY OF AN ACTIVE AGENT USING AN IMPLANTABLE SYSTEM INTARCIA THERAPEUTICS, INC. 2011-09-22 — — US disclosed
US-20100114074-A1 Sustained delivery of an active agent using an implantable system INTARCIA THERAPEUTICS, INC. 2010-05-06 — — US disclosed
US-7655257-B2 Sustained delivery of an active agent using an implantable system INTARCIA THERAPEUTICS, INC. (US) 2010-02-02 — — US disclosed
EP-1238660-B1 Sustained delivery of an active agent using an implantable system ALZA CORP (US) 2005-09-07 — — EP disclosed
EP-1238658-B1 Sustained delivery of an active agent using an implantable system ALZA CORP (US) 2004-12-08 — — EP disclosed
EP-1238657-B1 Sustained delivery of an active agent using an implantable system ALZA CORP (US) 2004-11-03 — — EP disclosed
EP-1238659-B1 Sustained delivery of an active agent using an implantable system ALZA CORP (US) 2004-09-29 — — EP disclosed
EP-1238660-A1 Sustained delivery of an active agent using an implantable system ALZA Corporation (US) 2002-09-11 — — EP disclosed
EP-1238659-A1 Sustained delivery of an active agent using an implantable system ALZA Corporation (US) 2002-09-11 — — EP disclosed
US-6395292-B2 WATER SWELLABLE, SEMIPERMEABLE MATERIAL ALZA CORPORATION 2002-05-28 — — US disclosed
US-20010031277-A1 Water swellable, semipermeable material INTARCIA THERAPEUTICS, INC. 2001-10-18 — — US disclosed
US-6261584-B1 FLUID IMBIBING; SUPPLYING LEUPROLIDE ALZA CORPORATION 2001-07-17 — — US disclosed
US-6156331-A Sustained delivery of an active agent using an implantable system ALZA CORPORATION (US) 2000-12-05 — — US disclosed
US-5985305-A Sustained delivery of an active agent using an implantable system ALZA CORPORATION (US) 1999-11-16 — — US disclosed
EP-0877599-A1 SUSTAINED DELIVERY OF AN ACTIVE AGENT USING AN IMPLANTABLE SYSTEM ALZA CORPORATION (US) 1998-11-18 — — EP disclosed
US-5728396-A Sustained delivery of leuprolide using an implantable system ALZA CORPORATION (US) 1998-03-17 — — US disclosed
WO-1997027840-A1 SUSTAINED DELIVERY OF AN ACTIVE AGENT USING AN IMPLANTABLE SYSTEM ALZA CORPORATION (US) 1997-08-07 — — WO disclosed