SCHEMBL30887979

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

nearest known ligand 0.67

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.65

▸	EP300	Q09472	1/20	0.60

▸	HIF1A	Q16665	1/20	0.60

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	CCKBR	P32239	2/20	0.58

▸	GLP1R	P43220	2/20	0.58

▸	OPRM1	P35372	2/20	0.57

▸	OPRD1	P41143	2/20	0.57

▸	OPRK1	P41145	2/20	0.57

▸	KEAP1	Q14145	1/20	0.56

▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	1/20	0.56

▸	NPY2R	P49146	3/20	0.56

▸	NPY4R	P50391	3/20	0.56

▸	NPY5R	Q15761	3/20	0.56

▸	NPY1R	P25929	2/20	0.56

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
SCHEMBL30304511	0.89	CALCR (0.69)	CALCRCRHR1CRHR2OPRD1NPY2R
SCHEMBL30495733	0.88	EP300 (0.66)	CALCREP300HIF1ACRHR1CRHR2
SCHEMBL30429242	0.88	CALCR (0.63)	CALCREP300HIF1ACRHR1CRHR2
SCHEMBL30775449	0.88	CALCR (0.58)	CALCREP300HIF1AOPRM1OPRD1
SCHEMBL30831411	0.87	CALCR (0.63)	CALCRMAPK8MAPK9MAPK10NPY2R
SCHEMBL31000946	0.87	CALCR (0.64)	CALCREP300HIF1ACRHR1CRHR2
SCHEMBL30648485	0.87	CALCR (0.66)	CALCREP300HIF1ACRHR1CRHR2
SCHEMBL31182559	0.86	NPY2R (0.69)	CALCREP300HIF1AMAPK8MAPK9
SCHEMBL30277935	0.86	CALCR (0.61)	CALCREP300HIF1ACRHR1CRHR2
SCHEMBL31388215	0.86	KEAP1 (0.59)	CALCREP300HIF1AOPRD1KEAP1

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-117164668-B	Polypeptide compound, composition and use thereof	青岛双元泰和药业有限公司	2024-05-10	—	—	CN	disclosed