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Buserelin

Buserelin

SCHEMBL3467577

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

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GNRHR

The experimentally established mechanism targets of Buserelin. 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 0.75
▸ ABCC2 Q92887 1/20 0.75
▸ PTGS1 P23219 1/20 0.69
▸ APLNR P35414 4/20 0.58
▸ CXCR4 P61073 1/20 0.55

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
Buserelin SCHEMBL2544038 0.99 ABCC2 (0.76) GNRHRABCC2PTGS1APLNRCXCR4
Goserelin SCHEMBL5605264 0.98 GNRHR (0.73) GNRHRABCC2PTGS1APLNRCXCR4
Goserelin SCHEMBL4735617 0.98 ABCC2 (0.74) GNRHRABCC2PTGS1APLNRCXCR4
Goserelin SCHEMBL7202372 0.98 ABCC2 (0.74) GNRHRABCC2PTGS1APLNRCXCR4
Buserelin SCHEMBL15214196 0.97 GNRHR (0.80) GNRHRABCC2PTGS1APLNRCXCR4
Buserelin SCHEMBL29598917 0.97 GNRHR (0.80) GNRHRABCC2PTGS1APLNRCXCR4
Buserelin SCHEMBL14193133 0.96 GNRHR (0.68) GNRHRABCC2PTGS1APLNR
Buserelin SCHEMBL16766450 0.96 GNRHR (0.68) GNRHRABCC2PTGS1APLNR
Buserelin SCHEMBL29833854 0.96 GNRHR (0.68) GNRHRABCC2PTGS1APLNR
Buserelin SCHEMBL13354 0.96 GNRHR (0.68) GNRHRABCC2PTGS1APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246063-A1 Sustained release formulations comprising GnRH analogues IPSEN PHARMA S.A.S. (FR) 2010-11-03 — — EP disclosed