SCHEMBL30767705

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	1/20	0.64

▸	APLNR	P35414	2/20	0.58

▸	TFPI	P10646	4/20	0.57

▸	F2	P00734	4/20	0.56

▸	CXCR4	P61073	2/20	0.55

▸	C5AR1	P21730	1/20	0.54

▸	NPY1R	P25929	1/20	0.54

▸	NPY2R	P49146	1/20	0.54

▸	NPY4R	P50391	1/20	0.54

▸	NPY5R	Q15761	1/20	0.54

▸	GLP1R	P43220	3/20	0.54

▸	GCGR	P47871	3/20	0.54

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
SCHEMBL30767711	0.97	MC4R (0.64)	MC4RAPLNRTFPIF2CXCR4
SCHEMBL30767700	0.92	MC4R (0.60)	MC4RAPLNRTFPIF2CXCR4
SCHEMBL31182477	0.88	APLNR (0.64)	APLNRTFPIF2C5AR1NPY1R
SCHEMBL29638078	0.87	APLNR (0.57)	MC4RAPLNRF2NPY1RNPY2R
SCHEMBL29525147	0.86	APLNR (0.63)	MC4RAPLNRTFPIC5AR1NPY1R
SCHEMBL30432142	0.86	MC4R (0.73)	MC4RAPLNRTFPIF2CXCR4
SCHEMBL29525492	0.86	APLNR (0.64)	MC4RAPLNRTFPI
SCHEMBL30495678	0.86	C5AR1 (0.66)	MC4RAPLNRTFPICXCR4C5AR1
SCHEMBL30431287	0.86	MC4R (0.57)	MC4RAPLNRTFPIF2CXCR4
SCHEMBL31296089	0.86	APLNR (0.61)	MC4RAPLNRF2C5AR1NPY1R

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-117327152-A	Digestion-resistant linear epitope peptide of penaeus vannamei allergen and application thereof	大连工业大学	2024-01-02	—	—	CN	disclosed