SCHEMBL29827295

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.73

▸	GLP1R	P43220	11/20	0.71

▸	CRHR1	P34998	1/20	0.70

▸	CRHR2	Q13324	1/20	0.70

▸	CCKBR	P32239	4/20	0.69

▸	GCGR	P47871	3/20	0.68

▸	NPY1R	P25929	1/20	0.66

▸	NPY2R	P49146	1/20	0.66

▸	NPY4R	P50391	1/20	0.66

▸	NPY5R	Q15761	1/20	0.66

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
SCHEMBL30658354	0.93	CALCR (0.79)	CALCRGLP1RCRHR1CRHR2CCKBR
SCHEMBL31148884	0.92	CALCR (0.79)	CALCRGLP1RCRHR1CRHR2CCKBR
SCHEMBL30771981	0.92	CALCR (0.77)	CALCRGLP1RCCKBRGCGRNPY1R
SCHEMBL30537032	0.92	CALCR (0.78)	CALCRGLP1RCRHR1CRHR2CCKBR
SCHEMBL31027142	0.91	GLP1R (0.75)	CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL30658246	0.91	GLP1R (0.79)	CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL31000931	0.91	GLP1R (0.70)	CALCRGLP1RCCKBRGCGRNPY1R
SCHEMBL31217658	0.91	CALCR (0.75)	CALCRGLP1RCCKBRGCGRNPY1R
SCHEMBL30966637	0.91	GLP1R (0.76)	CALCRGLP1RCRHR1CRHR2GCGR
SCHEMBL31105353	0.91	GLP1R (0.70)	CALCRGLP1RCCKBRNPY1RNPY2R

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-112391327-B	Engineering bacterium for co-production of geraniol and nerol and construction method and application thereof	中国农业科学院烟草研究所	2022-08-05	—	—	CN	disclosed