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Sugi Predict / Compounds / Goserelin

Goserelin

Goserelin

SCHEMBL7202372

CC(=O)O.CC(=O)O.CC(C)C[C@H](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)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=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

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GNRHR

The experimentally established mechanism targets of Goserelin. 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 0.72
▸ ABCC2 Q92887 1/20 0.74
▸ PTGS1 P23219 1/20 0.67
▸ APLNR P35414 5/20 0.57
▸ CXCR4 P61073 2/20 0.54

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
Goserelin SCHEMBL4735617 1.00 ABCC2 (0.74) ABCC2GNRHRPTGS1APLNRCXCR4
Goserelin SCHEMBL5605264 0.99 GNRHR (0.73) ABCC2GNRHRPTGS1APLNRCXCR4
Buserelin SCHEMBL2544038 0.98 ABCC2 (0.76) ABCC2GNRHRPTGS1APLNRCXCR4
Buserelin SCHEMBL3467577 0.98 GNRHR (0.75) ABCC2GNRHRPTGS1APLNRCXCR4
Goserelin SCHEMBL8836302 0.96 GNRHR (0.66) ABCC2GNRHRPTGS1APLNR
Buserelin SCHEMBL29394496 0.95 ABCC2 (0.81) ABCC2GNRHRPTGS1APLNRCXCR4
Buserelin SCHEMBL167553 0.95 ABCC2 (0.70) ABCC2GNRHRPTGS1APLNR
Leuprolide SCHEMBL6367864 0.95 ABCC2 (0.81) ABCC2GNRHRPTGS1APLNRCXCR4
Buserelin SCHEMBL21806129 0.95 ABCC2 (0.70) ABCC2GNRHRPTGS1APLNR
Goserelin SCHEMBL29395009 0.95 ABCC2 (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599519-B1 Biocompatible; controlled, sustained release SAMYANG CORPORATION (KR) 2003-07-29 — — US disclosed