SCHEMBL11199735

CC(=O)N[C@H](Cc1c[nH]c2ccccc12)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](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(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	3/20	0.59

▸	CXCL8	P10145	7/20	0.58

▸	MC4R	P32245	2/20	0.57

▸	MC5R	P33032	2/20	0.57

▸	MC3R	P41968	2/20	0.57

▸	MC1R	Q01726	2/20	0.57

▸	OPRM1	P35372	6/20	0.56

▸	OPRK1	P41145	6/20	0.56

▸	KISS1R	Q969F8	2/20	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
SCHEMBL11212610	0.97	CXCR4 (0.60)	CXCR4CXCL8MC4RMC5RMC3R
SCHEMBL11199772	0.97	CXCL8 (0.61)	CXCL8MC4RMC5RMC3RMC1R
SCHEMBL11203579	0.94	GNRHR (0.58)	CXCR4MC4RMC5RMC3RMC1R
SCHEMBL11197090	0.91	GNRHR (0.58)	CXCR4CXCL8OPRM1KISS1R
SCHEMBL11099432	0.91	KISS1R (0.63)	CXCL8MC4RMC5RMC3RMC1R
Venorphin SCHEMBL30516272	0.90	OPRM1 (0.67)	CXCR4OPRM1OPRK1KISS1R
SCHEMBL11125288	0.89	PTGS1 (0.64)	CXCR4CXCL8MC4RMC5RMC3R
SCHEMBL11202228	0.88	CXCR4 (0.57)	CXCR4MC4RMC5RMC3RMC1R
SCHEMBL11093628	0.88	PTGS1 (0.63)	CXCR4CXCL8MC4RMC5RMC3R
SCHEMBL11199733	0.85	KISS1R (0.58)	CXCR4CXCL8OPRM1KISS1R

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