SCHEMBL30648484

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.62

▸	NPY2R	P49146	7/20	0.62

▸	NPY4R	P50391	7/20	0.62

▸	NPY5R	Q15761	7/20	0.62

▸	NPY1R	P25929	5/20	0.62

▸	HCRTR1	O43613	1/20	0.60

▸	HCRTR2	O43614	1/20	0.60

▸	NTSR1	P30989	2/20	0.59

▸	F2	P00734	3/20	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
SCHEMBL29479848	0.93	F2 (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31000874	0.92	NPY2R (0.64)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31000890	0.91	NPY2R (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30277958	0.91	NPY2R (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29558121	0.90	OPRD1 (0.65)	NPY1RNTSR1
SCHEMBL30648458	0.90	NPY2R (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432228	0.90	NPY2R (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31000895	0.89	NPY2R (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30277961	0.89	NPY2R (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30906476	0.88	NPY2R (0.71)	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116948034-B	Active type heterophagy antibody blocker Block-5S and preparation method thereof	南京珀尔泰生物技术有限公司	2024-06-25	—	—	CN	disclosed
CN-116948034-A	Active type heterophagy antibody blocker Block-5S and preparation method thereof	南京珀尔泰生物技术有限公司	2023-10-27	—	—	CN	disclosed