SCHEMBL31441008

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC)C(C)C)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	5/20	0.63

▸	MC4R	P32245	2/20	0.63

▸	MC5R	P33032	2/20	0.63

▸	MC3R	P41968	2/20	0.63

▸	MC1R	Q01726	2/20	0.63

▸	C5AR1	P21730	1/20	0.62

▸	IL23R	Q5VWK5	1/20	0.62

▸	NPY1R	P25929	1/20	0.60

▸	NPY2R	P49146	1/20	0.60

▸	NPY4R	P50391	1/20	0.60

▸	NPY5R	Q15761	1/20	0.60

▸	PRLHR	P49683	5/20	0.60

▸	GLP1R	P43220	2/20	0.60

▸	NPFFR2	Q9Y5X5	1/20	0.59

▸	CCKBR	P32239	1/20	0.59

▸	KEAP1	Q14145	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
SCHEMBL29599104	0.88	NPY1R (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658215	0.87	NPY1R (0.72)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30432613	0.87	NPY1R (0.69)	CXCR4MC4RMC5RMC3RMC1R
SCHEMBL30589447	0.86	CXCR4 (0.68)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL8780541	0.86	OPRD1 (0.58)	NPY1RNPY2RNPY4RNPY5R
SCHEMBL29410247	0.86	NPY1R (0.72)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182503	0.86	NPY2R (0.72)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30261957	0.86	C5AR1 (0.68)	CXCR4MC4RMC5RMC3RMC1R
SCHEMBL31519858	0.86	IL23R (0.72)	CXCR4C5AR1IL23RNPY1RNPY2R
SCHEMBL31519866	0.86	IL23R (0.72)	CXCR4C5AR1IL23RNPY1RNPY2R

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
CN-119677631-A	Laser-weldable polyester compositions, method for the production thereof and use thereof	恩骅力有限公司	2025-03-21	—	—	CN	disclosed