SCHEMBL30618029

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](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)CC)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 0.79

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.66

▸	NPY2R	P49146	7/20	0.63

▸	NPY4R	P50391	7/20	0.63

▸	NPY5R	Q15761	7/20	0.63

▸	NPY1R	P25929	5/20	0.63

▸	TFPI	P10646	4/20	0.60

▸	CXCR4	P61073	2/20	0.58

▸	EP300	Q09472	1/20	0.57

▸	HIF1A	Q16665	1/20	0.57

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
SCHEMBL30618027	0.94	NPY2R (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31651397	0.90	NPY2R (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658279	0.89	NPY2R (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578733	0.89	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578729	0.89	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30712788	0.89	EP300 (0.56)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31182542	0.89	NPY2R (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29779564	0.89	NPY2R (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30618034	0.89	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658358	0.89	CALCR (0.77)	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