SCHEMBL30618034

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.69

▸	NPY2R	P49146	7/20	0.62

▸	NPY4R	P50391	7/20	0.62

▸	NPY5R	Q15761	7/20	0.62

▸	NPY1R	P25929	7/20	0.62

▸	EP300	Q09472	1/20	0.62

▸	HIF1A	Q16665	1/20	0.62

▸	HCRTR1	O43613	1/20	0.62

▸	HCRTR2	O43614	1/20	0.62

▸	CCKBR	P32239	2/20	0.61

▸	GLP1R	P43220	2/20	0.61

▸	CRHR1	P34998	1/20	0.59

▸	CRHR2	Q13324	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
SCHEMBL30721552	0.90	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30721598	0.90	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30721613	0.90	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30721550	0.90	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30721562	0.90	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30721567	0.90	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30721659	0.90	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30721582	0.90	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29428022	0.89	NPY2R (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182742	0.89	CALCR (0.61)	CALCRNPY2RNPY4RNPY5RNPY1R

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-116987180-A	Methods and compositions for cancer diagnosis and treatment	生物技术欧洲股份公司	2023-11-03	—	—	CN	disclosed