SCHEMBL29865880

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.57

▸	F2	P00734	4/20	0.57

▸	MC4R	P32245	1/20	0.54

▸	C5AR1	P21730	2/20	0.53

▸	CRHR1	P34998	1/20	0.52

▸	CRHR2	Q13324	1/20	0.52

▸	HCRTR1	O43613	1/20	0.51

▸	HCRTR2	O43614	1/20	0.51

▸	NMBR	P28336	1/20	0.51

▸	GRPR	P30550	1/20	0.51

▸	APLNR	P35414	1/20	0.50

▸	NPY1R	P25929	1/20	0.50

▸	NPY2R	P49146	1/20	0.50

▸	NPY4R	P50391	1/20	0.50

▸	NPY5R	Q15761	1/20	0.50

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
SCHEMBL29679881	0.91	CALCR (0.56)	CALCRF2MC4RC5AR1CRHR1
SCHEMBL29679714	0.91	CALCR (0.56)	CALCRF2MC4RC5AR1CRHR1
SCHEMBL29679690	0.90	CALCR (0.55)	CALCRF2MC4RC5AR1CRHR1
SCHEMBL30431826	0.89	CALCR (0.59)	CALCRF2MC4RCRHR1CRHR2
SCHEMBL29679930	0.88	F2 (0.50)	CALCRF2MC4RC5AR1CRHR1
SCHEMBL30978823	0.88	F2 (0.58)	CALCRF2MC4RCRHR1CRHR2
SCHEMBL30658564	0.88	F2 (0.58)	CALCRF2C5AR1CRHR1CRHR2
SCHEMBL31182920	0.88	CALCR (0.71)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31603939	0.87	CALCR (0.70)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30432386	0.87	F2 (0.62)	CALCRF2C5AR1CRHR1CRHR2

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-112094881-B	Preparation method and application of stable calcium ion chelating peptide	江南大学	2022-08-09	—	—	CN	disclosed