SCHEMBL29993191

CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	1/20	0.66

▸	CXCR4	P61073	3/20	0.65

▸	GLP1R	P43220	8/20	0.65

▸	NPY1R	P25929	1/20	0.64

▸	NPY2R	P49146	1/20	0.64

▸	NPY4R	P50391	1/20	0.64

▸	NPY5R	Q15761	1/20	0.64

▸	CALCA	P06881	2/20	0.63

▸	RXFP1	Q9HBX9	1/20	0.62

▸	GCGR	P47871	1/20	0.62

▸	GIPR	P48546	1/20	0.62

▸	KEAP1	Q14145	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
Melittin SCHEMBL19458851	0.97	CXCR4 (0.66)	IL23RCXCR4GLP1RNPY1RNPY2R
Melittin SCHEMBL29351537	0.97	CXCR4 (0.66)	IL23RCXCR4GLP1RNPY1RNPY2R
SCHEMBL30456690	0.95	NPY2R (0.68)	IL23RCXCR4GLP1RNPY1RNPY2R
SCHEMBL30709702	0.95	NPY1R (0.66)	IL23RCXCR4GLP1RNPY1RNPY2R
SCHEMBL29973066	0.95	NPY1R (0.66)	IL23RCXCR4GLP1RNPY1RNPY2R
SCHEMBL30978816	0.94	CXCR4 (0.70)	IL23RCXCR4GLP1RNPY1RNPY2R
SCHEMBL30456977	0.93	NPY1R (0.66)	IL23RCXCR4GLP1RNPY1RNPY2R
SCHEMBL29993338	0.92	NPY1R (0.67)	IL23RCXCR4GLP1RNPY1RNPY2R
SCHEMBL29385720	0.91	CXCR4 (0.61)	IL23RCXCR4GLP1RNPY1RNPY2R
SCHEMBL29989757	0.90	NPY2R (0.67)	IL23RCXCR4GLP1RNPY1RNPY2R

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
CN-115317622-B	Preparation and application of antitumor polypeptide coupled drug	青岛科技大学	2025-08-22	—	—	CN	disclosed
CN-115317622-A	Preparation and application of anti-tumor polypeptide coupled drug	青岛科技大学	2022-11-11	—	—	CN	disclosed