SCHEMBL30058340

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

nearest known ligand 0.63

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.63

▸	APLNR	P35414	1/20	0.63

▸	CALCR	P30988	5/20	0.62

▸	RAMP3	O60896	1/20	0.61

▸	C5AR1	P21730	1/20	0.60

▸	GLP1R	P43220	3/20	0.60

▸	GCGR	P47871	3/20	0.60

▸	NPY2R	P49146	3/20	0.60

▸	NPY4R	P50391	3/20	0.60

▸	NPY5R	Q15761	3/20	0.60

▸	NPY1R	P25929	2/20	0.60

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
SCHEMBL30431782	0.92	CALCR (0.65)	APLNRCALCRRAMP3NPY2RNPY4R
SCHEMBL30607449	0.92	CALCR (0.64)	F2CALCRRAMP3C5AR1NPY2R
SCHEMBL30432183	0.92	F2 (0.59)	F2APLNRCALCRNPY2RNPY4R
SCHEMBL31182473	0.92	NPY2R (0.70)	F2CALCRNPY2RNPY4RNPY5R
SCHEMBL30906525	0.91	CALCR (0.65)	F2APLNRCALCRNPY2RNPY4R
SCHEMBL31182896	0.91	CALCR (0.66)	CALCRGLP1RGCGRNPY2RNPY4R
SCHEMBL30432646	0.91	CALCR (0.67)	F2CALCRC5AR1NPY2RNPY4R
SCHEMBL30432875	0.90	CALCR (0.65)	F2APLNRCALCRC5AR1GLP1R
SCHEMBL29860218	0.90	MC4R (0.64)	F2CALCRRAMP3NPY2RNPY4R
SCHEMBL29771673	0.90	NPY2R (0.65)	CALCRRAMP3GLP1RGCGRNPY2R

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-115429932-B	Composite material and preparation method and application thereof	上海交通大学医学院附属第九人民医院	2024-01-02	—	—	CN	disclosed
CN-115429932-A	Composite material, preparation method and application	上海交通大学医学院附属第九人民医院	2022-12-06	—	—	CN	disclosed