SCHEMBL30975049

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.76

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.65

▸	GLP1R	P43220	8/20	0.64

▸	NPY2R	P49146	7/20	0.63

▸	NPY4R	P50391	7/20	0.63

▸	NPY5R	Q15761	7/20	0.63

▸	NPY1R	P25929	5/20	0.63

▸	GCGR	P47871	5/20	0.61

▸	GIPR	P48546	5/20	0.61

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
SCHEMBL31182717	0.92	CALCR (0.68)	CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL30436941	0.91	CALCR (0.64)	CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL29416782	0.91	CALCR (0.62)	CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL30843963	0.91	CALCR (0.71)	CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL31182472	0.90	NPY2R (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30726570	0.90	NPY2R (0.62)	CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL30906377	0.90	NPY2R (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29588486	0.90	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL30028547	0.90	CALCR (0.65)	CALCRGLP1RNPY2RNPY4RNPY5R
SCHEMBL30658338	0.89	CALCR (0.63)	CALCRGLP1RNPY2RNPY4RNPY5R

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-118087257-A	Fabric-based evaporation driving electric water cogeneration device and preparation method and application thereof	苏州大学	2024-05-28	—	—	CN	disclosed