SCHEMBL30598158

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.70

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.70

▸	CRHR1	P34998	1/20	0.65

▸	CRHR2	Q13324	1/20	0.65

▸	HCRTR1	O43613	1/20	0.65

▸	HCRTR2	O43614	1/20	0.65

▸	NPY2R	P49146	9/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	7/20	0.64

▸	RAMP1	O60894	1/20	0.64

▸	RAMP2	O60895	1/20	0.64

▸	RAMP3	O60896	1/20	0.64

▸	CALCRL	Q16602	1/20	0.64

▸	CCKBR	P32239	2/20	0.64

▸	GLP1R	P43220	2/20	0.64

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
SCHEMBL30598216	0.96	CALCR (0.72)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30598185	0.96	CALCR (0.74)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29706211	0.95	GLP1R (0.70)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29706218	0.95	GLP1R (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30598134	0.95	CALCR (0.71)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30598167	0.95	CALCR (0.69)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29494575	0.94	CALCR (0.76)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL30686820	0.94	CALCR (0.76)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL30686827	0.94	CALCR (0.76)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL29706311	0.94	GLP1R (0.70)	CALCRNPY2RNPY4RNPY5RNPY1R

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
WO-2022111713-A9	POLYPEPTIDE CONTAINING DISULFIDE BONDS AND CAPABLE OF INHIBITING ACTIVITY OF SERINE PROTEASE, DERIVED HYBRID PEPTIDE THEREOF, AND USE THEREOF	中国医学科学院药物研究所	2023-07-27	—	—	WO	disclosed