SCHEMBL30618027

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](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(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(=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 7)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.67

▸	NPY4R	P50391	8/20	0.67

▸	NPY5R	Q15761	8/20	0.67

▸	NPY1R	P25929	6/20	0.67

▸	CALCR	P30988	4/20	0.66

▸	TFPI	P10646	4/20	0.65

▸	CXCR4	P61073	2/20	0.63

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
SCHEMBL30618029	0.94	CALCR (0.66)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30433571	0.92	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29711789	0.91	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30218807	0.91	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182515	0.91	TFPI (0.68)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182912	0.91	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658298	0.90	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432502	0.90	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30262046	0.90	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30358205	0.90	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR

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