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Histrelin

Histrelin

SCHEMBL7619565

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](Cc1cn(Cc2ccccc2)cn1)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 0.77

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GNRHR

The experimentally established mechanism targets of Histrelin. 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 0.77
▸ ABCC2 Q92887 1/20 0.76
▸ PTGS1 P23219 1/20 0.71
▸ APLNR P35414 5/20 0.60
▸ CXCR4 P61073 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
Histrelin SCHEMBL17881 1.00 GNRHR (0.77) GNRHRABCC2PTGS1APLNRCXCR4
Histrelin SCHEMBL29405757 1.00 GNRHR (0.77) GNRHRABCC2PTGS1APLNRCXCR4
Histrelin SCHEMBL84261 1.00 GNRHR (0.76) GNRHRABCC2PTGS1APLNRCXCR4
Histrelin SCHEMBL29372688 0.99 ABCC2 (0.78) GNRHRABCC2PTGS1APLNRCXCR4
Histrelin SCHEMBL5327685 0.99 ABCC2 (0.78) GNRHRABCC2PTGS1APLNRCXCR4
Histrelin SCHEMBL18715 0.99 ABCC2 (0.78) GNRHRABCC2PTGS1APLNRCXCR4
Histrelin SCHEMBL22288995 0.94 GNRHR (0.67) GNRHRABCC2PTGS1APLNRCXCR4
Histrelin SCHEMBL1650282 0.94 GNRHR (0.67) GNRHRABCC2PTGS1APLNRCXCR4
Leuprolide SCHEMBL4585 0.94 GNRHR (0.86) GNRHRABCC2PTGS1APLNRCXCR4
Leuprolide SCHEMBL7751433 0.94 GNRHR (0.86) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204054-B1 MIXTURE OF ALBUMIN, ANTIBODY, PEPTIDES AND PROTEIN DISULPHIDE ISOMERASE; DRY POWDERS; INHALATION ANDARIS LIMITED (GB) 2001-03-20 — — US claimed
EP-0921808-B1 NON-AQUEOUS POLAR APROTIC PEPTIDE FORMULATIONS ALZA CORP (US) 2002-09-18 — — EP disclosed