Cetrorelix

SCHEMBL22391501

CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O.O=C(O)O

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GNRHR

The experimentally established mechanism targets of Cetrorelix. 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	12/20	0.88

▸	ABCB11	O95342	1/20	0.88

▸	DRD1	P21728	1/20	0.88

▸	OPRM1	P35372	1/20	0.88

▸	MRGPRX2	Q96LB1	1/20	0.88

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
Cetrorelix SCHEMBL31410928	0.99	ABCB11 (0.90)	ABCB11GNRHRDRD1OPRM1MRGPRX2
Cetrorelix SCHEMBL31410929	0.99	ABCB11 (0.90)	ABCB11GNRHRDRD1OPRM1MRGPRX2
Cetrorelix SCHEMBL1462430	0.99	ABCB11 (0.90)	ABCB11GNRHRDRD1OPRM1MRGPRX2
Cetrorelix SCHEMBL6149471	0.99	ABCB11 (0.90)	ABCB11GNRHRDRD1OPRM1MRGPRX2
Cetrorelix SCHEMBL61332	0.99	ABCB11 (0.90)	ABCB11GNRHRDRD1OPRM1MRGPRX2
Cetrorelix SCHEMBL24040297	0.99	GNRHR (0.89)	ABCB11GNRHRDRD1OPRM1MRGPRX2
Cetrorelix SCHEMBL571416	0.99	GNRHR (0.89)	ABCB11GNRHRDRD1OPRM1MRGPRX2
Cetrorelix SCHEMBL24040296	0.99	GNRHR (0.89)	ABCB11GNRHRDRD1OPRM1MRGPRX2
Cetrorelix SCHEMBL30882997	0.99	GNRHR (0.89)	ABCB11GNRHRDRD1OPRM1MRGPRX2
Cetrorelix SCHEMBL24040283	0.99	GNRHR (0.89)	ABCB11GNRHRDRD1OPRM1MRGPRX2

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
WO-2021237039-A1	COMPOSITIONS AND METHODS FOR LONG TERM RELEASE OF GONADOTROPIN-RELEASING HORMONE (GNRH) ANTAGONISTS	VERU INC. (US)	2021-11-25	—	—	WO	disclosed
US-20200282008-A1	COMPOSITIONS AND METHODS FOR LONG TERM RELEASE OF GONADOTROPIN-RELEASING HORMONE (GnRH) ANTAGONISTS	VERU, INC.	2020-09-10	—	—	US	disclosed