SCHEMBL30388109

C[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSC(=O)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	2/20	0.65

▸	CXCR4	P61073	7/20	0.65

▸	NPY1R	P25929	1/20	0.61

▸	NPY2R	P49146	1/20	0.61

▸	NPY4R	P50391	1/20	0.61

▸	NPY5R	Q15761	1/20	0.61

▸	C5AR1	P21730	1/20	0.59

▸	MC4R	P32245	2/20	0.57

▸	MC5R	P33032	2/20	0.57

▸	MC3R	P41968	2/20	0.57

▸	MC1R	Q01726	2/20	0.57

▸	GLP1R	P43220	5/20	0.56

▸	GIPR	P48546	3/20	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
SCHEMBL31657611	0.92	IL23R (0.66)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL31105456	0.87	NPY2R (0.71)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL15799881	0.87	CXCR4 (0.60)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL29500420	0.86	IL23R (0.68)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL30640750	0.86	CXCR4 (0.69)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL29672871	0.85	IL23R (0.70)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL29436331	0.85	IL23R (0.70)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL29627571	0.85	KEAP1 (0.59)	IL23RCXCR4
SCHEMBL31067646	0.84	NPY1R (0.68)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL29618035	0.84	CXCR4 (0.72)	IL23RCXCR4NPY1RNPY2RNPY4R

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-11639368-B2	Method for preventing and treating hyperpermeability	APEPTICO FORSCHUNG UND ENTWICKLUNG GMBH (AT)	2023-05-02	—	—	US	disclosed