SCHEMBL31146340

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	13/20	0.65

▸	NPY1R	P25929	1/20	0.59

▸	NPY2R	P49146	1/20	0.59

▸	NPY4R	P50391	1/20	0.59

▸	NPY5R	Q15761	1/20	0.59

▸	C5AR1	P21730	1/20	0.58

▸	NTSR2	O95665	1/20	0.56

▸	NTSR1	P30989	1/20	0.56

▸	SORT1	Q99523	1/20	0.56

▸	KISS1R	Q969F8	2/20	0.56

▸	CAPN1	P07384	2/20	0.56

▸	CTSB	P07858	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
SCHEMBL31146211	0.94	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
Nerofe SCHEMBL29534410	0.94	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
Nerofe SCHEMBL31146290	0.94	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30512621	0.90	CXCR4 (0.64)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30512719	0.90	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31232547	0.89	C5AR1 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30695167	0.89	CXCR4 (0.62)	CXCR4C5AR1NTSR2NTSR1SORT1
SCHEMBL30881892	0.89	C5AR1 (0.70)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29435102	0.89	KISS1R (0.58)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29416046	0.89	CXCR4 (0.71)	CXCR4NPY1RNPY2RNPY4RNPY5R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4688805-A1	CYCLIC D-PEPTIDES, DERIVATIVES, COMPOSITIONS AND USES THEREOF	Immune System Key Ltd. (IL)	2026-02-11	—	—	EP	disclosed
WO-2024228200-A1	CYCLIC D-PEPTIDES, DERIVATIVES, COMPOSITIONS AND USES THEREOF	IMMUNE SYSTEM KEY LTD. (IL)	2024-11-07	—	—	WO	disclosed