Leuprolide

SCHEMBL1025887

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](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.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1.O=c1[nH]cc(F)c(=O)[nH]1

nearest known ligand 0.54

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 9)

	gene	UniProt	supporting neighbours	confidence
▸	GNRHR known ✓	P30968	2/20	0.52

▸	ABCC2	Q92887	1/20	0.54

▸	PTGS1	P23219	1/20	0.49

▸	APLNR	P35414	5/20	0.45

▸	CXCR4	P61073	4/20	0.43

▸	MC4R	P32245	1/20	0.42

▸	MC5R	P33032	1/20	0.42

▸	MC3R	P41968	1/20	0.42

▸	MC1R	Q01726	1/20	0.42

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
Leuprolide SCHEMBL20508900	0.81	ABCC2 (0.81)	ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL847084	0.77	ABCC2 (0.87)	ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL3174	0.77	ABCC2 (0.87)	ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL177978	0.77	ABCC2 (0.87)	ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL4414320	0.76	ABCC2 (0.84)	ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL21596247	0.76	ABCC2 (0.83)	ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL15921358	0.76	GNRHR (0.82)	ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL21540132	0.76	GNRHR (0.86)	ABCC2GNRHRPTGS1APLNRCXCR4
Deslorelin SCHEMBL1649660	0.76	GNRHR (0.86)	ABCC2GNRHRPTGS1APLNRCXCR4
Leuprolide SCHEMBL4585	0.76	GNRHR (0.86)	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2274010-A1	THERAPEUTIC COMBINATIONS OF ANTI-IGF-1R ANTIBODIES AND OTHER COMPOUNDS	Biogen Idec MA Inc. (US)	2011-01-19	—	—	EP	disclosed
WO-2009126304-A1	THERAPEUTIC COMBINATIONS OF ANTI-IGF-1R ANTIBODIES AND OTHER COMPOUNDS	BIOGEN IDEC MA INC. (US)	2009-10-15	—	—	WO	disclosed