SCHEMBL11199772

CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)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(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CXCL8	P10145	10/20	0.61

▸	KISS1R	Q969F8	6/20	0.60

▸	ABCB11	O95342	1/20	0.57

▸	DRD1	P21728	1/20	0.57

▸	GNRHR	P30968	1/20	0.57

▸	OPRM1	P35372	1/20	0.57

▸	MRGPRX2	Q96LB1	1/20	0.57

▸	MC4R	P32245	1/20	0.56

▸	MC5R	P33032	1/20	0.56

▸	MC3R	P41968	1/20	0.56

▸	MC1R	Q01726	1/20	0.56

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
SCHEMBL11199735	0.97	CXCR4 (0.59)	CXCL8KISS1ROPRM1MC4RMC5R
SCHEMBL11099432	0.94	KISS1R (0.63)	CXCL8KISS1RABCB11DRD1GNRHR
SCHEMBL11212610	0.94	CXCR4 (0.60)	CXCL8KISS1RMC4RMC5RMC3R
SCHEMBL11197090	0.92	GNRHR (0.58)	CXCL8KISS1RABCB11DRD1GNRHR
SCHEMBL11093628	0.91	PTGS1 (0.63)	CXCL8KISS1RABCB11GNRHRMC4R
SCHEMBL11203579	0.90	GNRHR (0.58)	KISS1RABCB11DRD1GNRHROPRM1
SCHEMBL11125288	0.90	PTGS1 (0.64)	CXCL8KISS1RDRD1GNRHROPRM1
SCHEMBL11793620	0.88	ABCC2 (0.64)	CXCL8KISS1RGNRHR
SCHEMBL11270601	0.87	KISS1R (0.64)	KISS1RGNRHR
SCHEMBL11122441	0.87	KISS1R (0.64)	KISS1RGNRHR

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