SCHEMBL30938249

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.68

▸	NPY2R	P49146	10/20	0.61

▸	NPY4R	P50391	8/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY1R	P25929	8/20	0.61

▸	EP300	Q09472	1/20	0.60

▸	HIF1A	Q16665	1/20	0.60

▸	KEAP1	Q14145	2/20	0.60

▸	MAPK8	P45983	1/20	0.59

▸	MAPK9	P45984	1/20	0.59

▸	MAPK10	P53779	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
SCHEMBL29414492	1.00	CALCR (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29370426	1.00	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30938250	1.00	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30028547	0.97	CALCR (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31507665	0.94	CALCR (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495665	0.91	CALCR (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495756	0.90	CALCR (0.64)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182717	0.90	CALCR (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30887555	0.90	CALCR (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30887977	0.90	CALCR (0.64)	CALCRKEAP1MAPK8MAPK9MAPK10

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-118178613-A	Application of mitochondrial polypeptide Humanin and analogues thereof in preparation of medicine for treating oligospermia and/or oligospermia	华中科技大学	2024-06-14	—	—	CN	disclosed