SCHEMBL30576945

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

nearest known ligand 0.65

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	1/20	0.56

▸	NPY2R	P49146	10/20	0.55

▸	NPY4R	P50391	8/20	0.55

▸	NPY5R	Q15761	8/20	0.55

▸	NPY1R	P25929	8/20	0.55

▸	EP300	Q09472	1/20	0.53

▸	HIF1A	Q16665	1/20	0.53

▸	CALCR	P30988	1/20	0.52

▸	CXCR4	P61073	1/20	0.52

▸	TFPI	P10646	1/20	0.52

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
SCHEMBL31129143	0.92	OPRD1 (0.57)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL30712955	0.90	NPY2R (0.58)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29706344	0.90	MAPK8 (0.60)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31129138	0.89	OPRD1 (0.61)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL31129133	0.89	OPRD1 (0.62)	—
SCHEMBL29706150	0.89	MAPK8 (0.55)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31129141	0.88	C5AR1 (0.59)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL31129136	0.88	OPRD1 (0.56)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL31129148	0.88	NPY2R (0.60)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31129135	0.88	NPY2R (0.60)	MAPK8MAPK9MAPK10NPY2RNPY4R

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-116621961-A	Gene ZmAPC4 for regulating starch content in corn kernel, expression product, SNP marker, excellent haplotype and application	河南农业大学	2023-08-22	—	—	CN	disclosed