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Histrelin

Histrelin

SCHEMBL22288995

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](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1

nearest known ligand 0.67

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 6)

geneUniProtsupporting neighboursconfidence
▸ GNRHR known ✓ P30968 2/20 0.67
▸ ABCC2 Q92887 1/20 0.67
▸ PTGS1 P23219 1/20 0.62
▸ C5AR1 P21730 2/20 0.56
▸ APLNR P35414 4/20 0.53
▸ CXCR4 P61073 1/20 0.50

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 SCHEMBL1650282 1.00 GNRHR (0.67) GNRHRABCC2PTGS1C5AR1APLNR
Histrelin SCHEMBL19459949 0.99 ABCC2 (0.68) GNRHRABCC2PTGS1C5AR1APLNR
Histrelin SCHEMBL27724983 0.98 GNRHR (0.65) GNRHRABCC2PTGS1C5AR1APLNR
Histrelin SCHEMBL28130915 0.98 ABCC2 (0.66) GNRHRABCC2PTGS1C5AR1APLNR
Histrelin SCHEMBL28869225 0.97 ABCC2 (0.65) GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL28672062 0.96 GNRHR (0.61) GNRHRABCC2PTGS1C5AR1APLNR
Deslorelin SCHEMBL25353366 0.94 GNRHR (0.74) GNRHRABCC2PTGS1C5AR1APLNR
Leuprolide SCHEMBL172917 0.94 GNRHR (0.74) GNRHRABCC2PTGS1C5AR1APLNR
Leuprolide SCHEMBL14190828 0.94 GNRHR (0.74) GNRHRABCC2PTGS1C5AR1APLNR
Deslorelin SCHEMBL29350981 0.94 GNRHR (0.74) GNRHRABCC2PTGS1C5AR1APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174662-A1 METHODS OF TREATING CASTRATE-RESISTANT PROSTATE CANCER FONDAZIONE PER L'ISTITUTO ONCOLOGICO DI RICERCA (IOR) (CH) 2023-06-08 — — US disclosed
EP-3917568-A1 METHODS OF TREATING CASTRATE-RESISTANT PROSTATE CANCER Fondazione Per L'Istituto Oncologico Di Ricerca (IOR) (CH) 2021-12-08 — — EP disclosed
WO-2020157334-A1 METHODS OF TREATING CASTRATE-RESISTANT PROSTATE CANCER FONDAZIONE PER L'ISTITUTO ONCOLOGICO DI RICERCA (IOR) (CH) 2020-08-06 — — WO disclosed