SCHEMBL31694495

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	2/20	0.64

▸	NPY1R	P25929	1/20	0.63

▸	NPY2R	P49146	1/20	0.63

▸	NPY4R	P50391	1/20	0.63

▸	NPY5R	Q15761	1/20	0.63

▸	CXCR4	P61073	4/20	0.61

▸	MAPK8	P45983	1/20	0.61

▸	MAPK9	P45984	1/20	0.61

▸	MAPK10	P53779	1/20	0.61

▸	GLP1R	P43220	9/20	0.60

▸	RAMP3	O60896	1/20	0.60

▸	CALCR	P30988	1/20	0.60

▸	ECE1	P42892	1/20	0.59

▸	MUS81	Q96NY9	1/20	0.59

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
SCHEMBL30666364	0.93	NPY2R (0.69)	IL23RNPY1RNPY2RNPY4RNPY5R
SCHEMBL38654334	0.90	NPY2R (0.70)	IL23RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30666385	0.90	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658385	0.89	NPY1R (0.69)	IL23RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31182503	0.89	NPY2R (0.72)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30930560	0.89	NPY1R (0.71)	IL23RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29436331	0.89	IL23R (0.70)	IL23RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29815129	0.89	KISS1R (0.67)	IL23RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30786596	0.88	CXCR4 (0.64)	IL23RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30786584	0.88	CXCR4 (0.64)	IL23RNPY1RNPY2RNPY4RNPY5R

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-RE50618-E1	Anionic-core composition for delivery of therapeutic agents, and methods of making and using the same	PHARMAIN CORPORATION (US)	2025-10-07	—	—	US	disclosed