Leuprolide

SCHEMBL28615809

CCNC(=O)[C@@H]1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1.[CaH2]

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GNRHR

The experimentally established mechanism targets of Leuprolide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	GNRHR known ✓	P30968	2/20	0.73

▸	ABCC2	Q92887	1/20	0.71

▸	PTGS1	P23219	1/20	0.67

▸	C5AR1	P21730	2/20	0.59

▸	APLNR	P35414	4/20	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.

Compound	similarity	top predicted	shared targets
SCHEMBL29833896	0.99	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
Deslorelin SCHEMBL59413	0.99	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL29588982	0.99	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
Deslorelin SCHEMBL25353366	0.99	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
Leuprolide SCHEMBL172917	0.99	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
Leuprolide SCHEMBL25418953	0.99	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
Leuprolide SCHEMBL14190828	0.99	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL28690690	0.99	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
Deslorelin SCHEMBL29350981	0.99	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL29750348	0.99	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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-108351344-B	Genome-scale T cell activity arrays and methods of use thereof	耶鲁大学	2021-07-30	—	—	CN	disclosed