SCHEMBL29932155

N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	9/20	0.53

▸	OPRD1	P41143	6/20	0.53

▸	NPFFR1	Q9GZQ6	2/20	0.53

▸	NPFFR2	Q9Y5X5	2/20	0.53

▸	OPRK1	P41145	7/20	0.53

▸	IL23R	Q5VWK5	1/20	0.51

▸	NPY4R	P50391	3/20	0.51

▸	NPY1R	P25929	2/20	0.51

▸	NPY2R	P49146	2/20	0.51

▸	NPY5R	Q15761	2/20	0.51

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
SCHEMBL29932201	1.00	OPRM1 (0.53)	OPRM1OPRD1NPFFR1NPFFR2OPRK1
SCHEMBL29932218	1.00	OPRM1 (0.53)	OPRM1OPRD1NPFFR1NPFFR2OPRK1
SCHEMBL29749864	1.00	OPRM1 (0.53)	OPRM1OPRD1NPFFR1NPFFR2OPRK1
SCHEMBL29932146	0.97	NPY4R (0.54)	OPRM1OPRD1NPFFR1NPFFR2OPRK1
SCHEMBL30437818	0.96	KDM1A (0.53)	OPRM1OPRD1NPFFR1NPFFR2OPRK1
SCHEMBL30437820	0.94	KDM1A (0.54)	OPRM1OPRD1NPFFR1NPFFR2OPRK1
SCHEMBL31692757	0.93	NTSR2 (0.53)	OPRM1OPRD1OPRK1NPY4RNPY1R
SCHEMBL30078070	0.92	OPRM1 (0.55)	OPRM1OPRD1NPFFR1NPFFR2OPRK1
SCHEMBL29932161	0.92	OPRM1 (0.55)	OPRM1OPRD1NPFFR1NPFFR2OPRK1
SCHEMBL30078129	0.92	OPRM1 (0.55)	OPRM1OPRD1NPFFR1NPFFR2OPRK1

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
US-20220288155-A1	CXCR4 INHIBITOR FOR THE TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND VIRAL INFECTIONS	BIOLINERX LTD. (IL)	2022-09-15	—	—	US	disclosed