SCHEMBL11200262

CC(=O)N(C(=O)[C@@H](N)Cc1ccc2ccccc2c1)[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCN)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

nearest known ligand 0.59

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	GNRHR	P30968	5/20	0.59

▸	DRD1	P21728	1/20	0.59

▸	OPRM1	P35372	1/20	0.59

▸	MRGPRX2	Q96LB1	1/20	0.59

▸	ABCB11	O95342	1/20	0.58

▸	CXCR4	P61073	6/20	0.55

▸	KISS1R	Q969F8	1/20	0.53

▸	C5AR1	P21730	1/20	0.53

▸	MC4R	P32245	2/20	0.53

▸	MC5R	P33032	2/20	0.53

▸	MC3R	P41968	2/20	0.53

▸	MC1R	Q01726	2/20	0.53

▸	NMUR2	Q9GZQ4	1/20	0.52

▸	NMUR1	Q9HB89	1/20	0.52

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
SCHEMBL11207519	0.98	GNRHR (0.61)	GNRHRDRD1OPRM1MRGPRX2ABCB11
SCHEMBL11202228	0.97	CXCR4 (0.57)	GNRHRDRD1OPRM1MRGPRX2ABCB11
SCHEMBL11199733	0.94	KISS1R (0.58)	GNRHRDRD1OPRM1MRGPRX2ABCB11
SCHEMBL11406923	0.93	KISS1R (0.59)	GNRHRDRD1OPRM1MRGPRX2ABCB11
SCHEMBL11203579	0.90	GNRHR (0.58)	GNRHRDRD1OPRM1MRGPRX2ABCB11
SCHEMBL11201932	0.90	C5AR1 (0.57)	GNRHRDRD1OPRM1MRGPRX2ABCB11
SCHEMBL11098383	0.89	PTGS1 (0.58)	GNRHRCXCR4KISS1R
SCHEMBL11197090	0.88	GNRHR (0.58)	GNRHRDRD1OPRM1MRGPRX2ABCB11
Detirelix Acetate SCHEMBL722712	0.87	GNRHR (0.74)	GNRHRDRD1OPRM1MRGPRX2ABCB11
Detirelix Acetate SCHEMBL32670260	0.87	GNRHR (0.74)	GNRHRDRD1OPRM1MRGPRX2ABCB11

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
EP-0081877-A1	LH-RH antagonists	COY, David Howard (US)	1983-06-22	—	—	EP	claimed