SCHEMBL11199733

CC(=O)N(C(=O)[C@@H](N)Cc1ccc(Cl)cc1)[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](CCCNC(=N)N)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 0.58

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	12/20	0.58

▸	DRD1	P21728	1/20	0.55

▸	GNRHR	P30968	1/20	0.55

▸	OPRM1	P35372	1/20	0.55

▸	MRGPRX2	Q96LB1	1/20	0.55

▸	ABCB11	O95342	1/20	0.54

▸	CXCR4	P61073	3/20	0.54

▸	CXCL8	P10145	1/20	0.53

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
SCHEMBL11406923	0.99	KISS1R (0.59)	KISS1RDRD1GNRHROPRM1MRGPRX2
SCHEMBL11202228	0.98	CXCR4 (0.57)	KISS1RDRD1GNRHROPRM1MRGPRX2
SCHEMBL11207519	0.96	GNRHR (0.61)	KISS1RDRD1GNRHROPRM1MRGPRX2
SCHEMBL11201932	0.95	C5AR1 (0.57)	KISS1RDRD1GNRHROPRM1MRGPRX2
SCHEMBL11200262	0.94	GNRHR (0.59)	KISS1RDRD1GNRHROPRM1MRGPRX2
SCHEMBL11098383	0.94	PTGS1 (0.58)	KISS1RGNRHRCXCR4
SCHEMBL11099432	0.91	KISS1R (0.63)	KISS1RDRD1GNRHROPRM1MRGPRX2
SCHEMBL11203853	0.89	KISS1R (0.55)	KISS1RDRD1GNRHROPRM1MRGPRX2
SCHEMBL11122441	0.87	KISS1R (0.64)	KISS1RGNRHRCXCR4
SCHEMBL11270601	0.87	KISS1R (0.64)	KISS1RGNRHRCXCR4

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