SCHEMBL29489233

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	8/20	0.64

▸	RAMP3	O60896	6/20	0.64

▸	NPY2R	P49146	7/20	0.58

▸	NPY4R	P50391	7/20	0.58

▸	NPY5R	Q15761	7/20	0.58

▸	NPY1R	P25929	5/20	0.58

▸	C5AR1	P21730	1/20	0.58

▸	MC4R	P32245	1/20	0.55

▸	TFPI	P10646	1/20	0.55

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
SCHEMBL29489234	1.00	CALCR (0.64)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30883275	0.91	CALCR (0.62)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL29416003	0.88	CALCR (0.63)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL31182654	0.88	NPY2R (0.66)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL30432942	0.88	CALCR (0.68)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL29593655	0.88	C5AR1 (0.69)	NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL29593115	0.88	C5AR1 (0.69)	NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL29593954	0.88	C5AR1 (0.69)	NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL30712966	0.87	NPY2R (0.61)	CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL31169469	0.87	C5AR1 (0.61)	CALCRRAMP3NPY2RNPY4RNPY5R

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-112851762-B	Human milk endogenous antibacterial polypeptide and application thereof in preparation of anti-inflammatory drugs	中国科学院大连化学物理研究所	2022-03-08	—	—	CN	disclosed