SCHEMBL29939733

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

nearest known ligand 0.73

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.73

▸	CRHR1	P34998	1/20	0.70

▸	CRHR2	Q13324	1/20	0.70

▸	F2	P00734	4/20	0.65

▸	HCRTR1	O43613	1/20	0.65

▸	HCRTR2	O43614	1/20	0.65

▸	TFPI	P10646	2/20	0.63

▸	CCKBR	P32239	2/20	0.62

▸	GLP1R	P43220	2/20	0.62

▸	NPY2R	P49146	4/20	0.62

▸	NPY4R	P50391	4/20	0.62

▸	NPY5R	Q15761	4/20	0.62

▸	NPY1R	P25929	3/20	0.62

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
SCHEMBL30804656	0.93	F2 (0.67)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30495705	0.92	CALCR (0.69)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30818412	0.92	CALCR (0.69)	CALCRCRHR1CRHR2TFPIGLP1R
SCHEMBL30932076	0.91	CALCR (0.82)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30511759	0.91	CALCR (0.66)	CALCRTFPIGLP1RNPY2RNPY4R
SCHEMBL30495663	0.91	F2 (0.71)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30818413	0.91	CALCR (0.69)	CALCRCRHR1CRHR2TFPIGLP1R
SCHEMBL30432400	0.91	CALCR (0.70)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30432123	0.90	CALCR (0.68)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30712965	0.90	CALCR (0.71)	CALCRCRHR1CRHR2F2HCRTR1

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-115066254-A	Human anti-inflammatory peptides for inhalation treatment of inflammatory lung diseases	阿德维塔生命科学有限责任公司	2022-09-16	—	—	CN	disclosed