SCHEMBL31121841

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	4/20	0.68

▸	NMUR1	Q9HB89	4/20	0.68

▸	TFPI	P10646	4/20	0.67

▸	CXCR4	P61073	2/20	0.66

▸	NPY2R	P49146	7/20	0.65

▸	NPY4R	P50391	7/20	0.65

▸	NPY5R	Q15761	7/20	0.65

▸	NPY1R	P25929	5/20	0.65

▸	RAMP3	O60896	1/20	0.63

▸	CALCR	P30988	1/20	0.63

▸	KDM1A	O60341	1/20	0.61

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
SCHEMBL29973299	0.92	TFPI (0.66)	NMUR2NMUR1TFPICXCR4NPY2R
SCHEMBL31455187	0.92	NMUR2 (0.65)	NMUR2NMUR1TFPICXCR4NPY2R
SCHEMBL29533701	0.92	TFPI (0.68)	NMUR2NMUR1TFPICXCR4NPY2R
SCHEMBL29424820	0.92	TFPI (0.68)	NMUR2NMUR1TFPICXCR4NPY2R
SCHEMBL30423064	0.92	KEAP1 (0.69)	NMUR2NMUR1TFPINPY2RNPY4R
SCHEMBL29629341	0.92	TFPI (0.68)	NMUR2NMUR1TFPICXCR4NPY2R
SCHEMBL29625798	0.90	TFPI (0.67)	NMUR2NMUR1TFPINPY2RNPY4R
SCHEMBL31474428	0.90	RAMP3 (0.67)	NMUR2NMUR1TFPINPY2RNPY4R
SCHEMBL30842181	0.90	NMUR2 (0.64)	NMUR2NMUR1TFPICXCR4NPY2R
SCHEMBL30261995	0.90	OPRD1 (0.61)	NMUR2NMUR1TFPICXCR4

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-3679158-B1	SINGLE IMMUNOGLOBULIN INTERLEUKIN-1 RECEPTOR RELATED (SIGIRR) VARIANTS AND USES THEREOF	REGENERON PHARMA (US)	2025-04-30	—	—	EP	disclosed
CN-111373053-B	Single immunoglobulin interleukin-1 receptor associated molecule (SIGIRR) variants and uses thereof	雷杰纳荣制药公司	2024-07-30	—	—	CN	disclosed