SCHEMBL29939518

CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.58

▸	APLNR	P35414	2/20	0.58

▸	TFPI	P10646	4/20	0.57

▸	PTH1R	Q03431	1/20	0.56

▸	CXCR4	P61073	4/20	0.56

▸	KDM1A	O60341	1/20	0.55

▸	NPY1R	P25929	1/20	0.55

▸	NPY2R	P49146	1/20	0.55

▸	NPY4R	P50391	1/20	0.55

▸	NPY5R	Q15761	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
SCHEMBL31139067	0.95	CALCR (0.62)	CALCRTFPIPTH1RCXCR4NPY1R
SCHEMBL30495756	0.91	CALCR (0.64)	CALCRAPLNRTFPICXCR4NPY1R
SCHEMBL30883253	0.91	CALCR (0.63)	CALCRAPLNRTFPICXCR4KDM1A
SCHEMBL29407563	0.90	PTH1R (0.69)	TFPIPTH1RCXCR4NPY1RNPY2R
SCHEMBL29895442	0.90	CALCR (0.73)	CALCRAPLNRPTH1R
SCHEMBL6437853	0.90	CALCR (0.73)	CALCRAPLNRPTH1R
SCHEMBL31182747	0.88	CALCR (0.61)	CALCRAPLNRTFPIKDM1ANPY1R
SCHEMBL31182910	0.88	NPY2R (0.58)	TFPICXCR4NPY1RNPY2RNPY4R
SCHEMBL31182883	0.88	CXCR4 (0.60)	CALCRTFPICXCR4NPY1RNPY2R
SCHEMBL30432510	0.88	CALCR (0.60)	CALCRTFPICXCR4NPY1RNPY2R

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