SCHEMBL29558997

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.63

▸	MAPK9	P45984	1/20	0.63

▸	MAPK10	P53779	1/20	0.63

▸	CALCR	P30988	4/20	0.59

▸	APLNR	P35414	1/20	0.58

▸	NPY2R	P49146	7/20	0.56

▸	NPY4R	P50391	7/20	0.56

▸	NPY5R	Q15761	7/20	0.56

▸	NPY1R	P25929	5/20	0.56

▸	NTSR2	O95665	2/20	0.55

▸	NTSR1	P30989	2/20	0.55

▸	SORT1	Q99523	2/20	0.55

▸	EPHA2	P29317	2/20	0.54

▸	RAMP3	O60896	1/20	0.54

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
SCHEMBL32679303	0.98	MAPK8 (0.63)	MAPK8MAPK9MAPK10CALCRAPLNR
SCHEMBL29530680	0.93	CALCR (0.67)	MAPK8MAPK9MAPK10CALCRNPY2R
SCHEMBL30906429	0.91	EPHA2 (0.60)	MAPK8MAPK9MAPK10CALCRAPLNR
SCHEMBL31679332	0.90	MAPK8 (0.60)	MAPK8MAPK9MAPK10CALCRAPLNR
SCHEMBL31182866	0.90	NPY2R (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30977975	0.90	CALCR (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30883234	0.88	NPY2R (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31174208	0.88	CALCR (0.62)	MAPK8MAPK9MAPK10CALCRNPY2R
SCHEMBL31754009	0.88	MAPK8 (0.65)	MAPK8MAPK9MAPK10CALCRNPY2R
SCHEMBL29562124	0.88	NPY2R (0.67)	MAPK8MAPK9MAPK10CALCRNPY2R

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-111925419-B	Application of polypeptide as olfactory receptor Olfr109 antagonist ligand	山东大学	2022-04-01	—	—	CN	disclosed