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Histrelin

Histrelin

SCHEMBL5327685

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](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.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 0.78

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 9)

geneUniProtsupporting neighboursconfidence
▸ GNRHR known ✓ P30968 2/20 0.76
▸ ABCC2 Q92887 1/20 0.78
▸ PTGS1 P23219 1/20 0.70
▸ APLNR P35414 4/20 0.59
▸ CXCR4 P61073 2/20 0.56
▸ MC4R P32245 1/20 0.56
▸ MC5R P33032 1/20 0.56
▸ MC3R P41968 1/20 0.56
▸ MC1R Q01726 1/20 0.56

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 SCHEMBL18715 1.00 ABCC2 (0.78) ABCC2GNRHRPTGS1APLNRCXCR4
Histrelin SCHEMBL29372688 1.00 ABCC2 (0.78) ABCC2GNRHRPTGS1APLNRCXCR4
Histrelin SCHEMBL17881 0.99 GNRHR (0.77) ABCC2GNRHRPTGS1APLNRCXCR4
Histrelin SCHEMBL29405757 0.99 GNRHR (0.77) ABCC2GNRHRPTGS1APLNRCXCR4
Histrelin SCHEMBL7619565 0.99 GNRHR (0.77) ABCC2GNRHRPTGS1APLNRCXCR4
Histrelin SCHEMBL84261 0.99 GNRHR (0.76) ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL570851 0.94 ABCC2 (0.87) ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL3174 0.94 ABCC2 (0.87) ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL177978 0.94 ABCC2 (0.87) ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL847084 0.94 ABCC2 (0.87) 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
WO-2007149103-A2 VASCULAR TISSUE ENHANCEMENT AND SELECTIVE DESTRUCTION OF CANCEROUS CELLULAR TISSUE KAISER DANIEL E (US) 2007-12-27 — — WO claimed