SCHEMBL30753756

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

nearest known ligand 0.61

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	4/20	0.61

▸	NMUR1	Q9HB89	4/20	0.61

▸	CXCR4	P61073	2/20	0.60

▸	OPRM1	P35372	1/20	0.57

▸	OPRD1	P41143	1/20	0.57

▸	RAMP3	O60896	1/20	0.57

▸	CALCR	P30988	1/20	0.57

▸	NPY2R	P49146	5/20	0.56

▸	NPY4R	P50391	5/20	0.56

▸	NPY5R	Q15761	5/20	0.56

▸	NPY1R	P25929	4/20	0.56

▸	IL23R	Q5VWK5	1/20	0.56

▸	TFPI	P10646	4/20	0.55

▸	C5AR1	P21730	1/20	0.55

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
SCHEMBL30753759	0.93	NMUR2 (0.62)	NMUR2NMUR1CXCR4OPRM1OPRD1
SCHEMBL30788371	0.92	IL23R (0.62)	NMUR2NMUR1CXCR4OPRM1RAMP3
SCHEMBL30753760	0.92	C5AR1 (0.64)	NMUR2NMUR1CXCR4OPRM1OPRD1
SCHEMBL30753761	0.92	OPRD1 (0.61)	NMUR2NMUR1OPRM1OPRD1CALCR
SCHEMBL30233254	0.91	OPRD1 (0.61)	NMUR2NMUR1OPRM1OPRD1CALCR
SCHEMBL30753755	0.90	CALCR (0.62)	CXCR4OPRM1OPRD1CALCRC5AR1
SCHEMBL30788350	0.89	NMUR2 (0.58)	NMUR2NMUR1CXCR4OPRM1OPRD1
SCHEMBL30233475	0.88	OPRD1 (0.59)	NMUR2NMUR1OPRM1OPRD1CALCR
SCHEMBL30233565	0.88	C5AR1 (0.59)	NMUR2NMUR1CXCR4OPRM1OPRD1
SCHEMBL30186436	0.88	CXCR4 (0.58)	NMUR2NMUR1CXCR4RAMP3CALCR

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-20240041740-A1	SKIN PEEL COMPOSITIONS	GLO PHARMA INC (US)	2024-02-08	—	—	US	disclosed