SCHEMBL30648463

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	EP300	Q09472	1/20	0.64

▸	HIF1A	Q16665	1/20	0.64

▸	CALCR	P30988	7/20	0.64

▸	RAMP3	O60896	3/20	0.64

▸	NPY2R	P49146	8/20	0.63

▸	NPY4R	P50391	8/20	0.63

▸	NPY5R	Q15761	8/20	0.63

▸	NPY1R	P25929	6/20	0.63

▸	TFPI	P10646	1/20	0.60

▸	NMUR2	Q9GZQ4	1/20	0.59

▸	NMUR1	Q9HB89	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
SCHEMBL30400505	0.94	NPY2R (0.65)	EP300HIF1ACALCRNPY2RNPY4R
SCHEMBL30436455	0.92	NPY2R (0.64)	EP300HIF1ACALCRNPY2RNPY4R
SCHEMBL31182678	0.92	NPY2R (0.63)	EP300HIF1ACALCRRAMP3NPY2R
SCHEMBL31182445	0.91	NPY2R (0.68)	EP300HIF1ACALCRRAMP3NPY2R
SCHEMBL30495766	0.91	NPY2R (0.67)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30607334	0.90	NPY2R (0.68)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30495583	0.90	NPY2R (0.65)	EP300HIF1ACALCRNPY2RNPY4R
SCHEMBL31182683	0.90	NPY2R (0.71)	EP300HIF1ACALCRNPY2RNPY4R
SCHEMBL30658303	0.90	NPY2R (0.68)	EP300HIF1ACALCRNPY2RNPY4R
SCHEMBL29811064	0.90	CALCR (0.66)	EP300HIF1ACALCRNPY2RNPY4R

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