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Sugi Predict / Compounds / Leuprolide

Leuprolide

Leuprolide

SCHEMBL570851

CC(=O)O.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.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

nearest known ligand 0.87

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 0.87
▸ PTGS1 P23219 1/20 0.78
▸ APLNR P35414 5/20 0.65
▸ CXCR4 P61073 2/20 0.61

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 SCHEMBL177978 1.00 ABCC2 (0.87) ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL847084 1.00 ABCC2 (0.87) ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL3174 1.00 ABCC2 (0.87) ABCC2GNRHRPTGS1APLNRCXCR4
Deslorelin SCHEMBL1649660 0.99 GNRHR (0.86) ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL10061885 0.99 GNRHR (0.86) ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL21540132 0.99 GNRHR (0.86) ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL4585 0.99 GNRHR (0.86) ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL7751433 0.99 GNRHR (0.86) ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL4414320 0.98 ABCC2 (0.84) ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL3915060 0.98 GNRHR (0.86) ABCC2GNRHRPTGS1APLNRCXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013116061-A1 INSERTION AND REMOVAL METHODS AND APPARATUS FOR THERAPEUTIC DEVICES FORSIGHT VISION4, INC. (US) 2013-08-08 — — WO disclosed
EP-2600812-A2 IMPLANTABLE THERAPEUTIC DEVICE Forsight Vision4, Inc. (US) 2013-06-12 — — EP disclosed
WO-2012019176-A2 IMPLANTABLE THERAPEUTIC DEVICE FORSIGHT VISION4 INC. (US) 2012-02-09 — — WO disclosed
US-5981489-A NONAQUEOUS PEPTIDE COMPOUND WHICH CONSISTS ESSENTIALLY OF ABOUT 30% TO ABOUT 50% (W/W) OF THE LHRH-RELATED COMPOUND LEUPROLILDE ACETATE IN POLYOXYETHYLENE GLCOL OR MIXTURE ALZA CORPORATION (US) 1999-11-09 — — US disclosed