SCHEMBL30512692

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.58

▸	APLNR	P35414	2/20	0.57

▸	CXCR4	P61073	4/20	0.56

▸	KDM1A	O60341	3/20	0.55

▸	MAOB	P27338	1/20	0.54

▸	KDM5A	P29375	1/20	0.54

▸	KDM1B	Q8NB78	1/20	0.54

▸	NPY2R	P49146	6/20	0.52

▸	NPY4R	P50391	6/20	0.52

▸	NPY5R	Q15761	6/20	0.52

▸	NPY1R	P25929	4/20	0.52

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
SCHEMBL31307222	0.94	C5AR1 (0.56)	C5AR1APLNRCXCR4KDM1ANPY2R
SCHEMBL31307221	0.94	C5AR1 (0.57)	C5AR1APLNRCXCR4NPY2RNPY4R
SCHEMBL30537453	0.91	CXCR4 (0.57)	C5AR1APLNRCXCR4KDM1A
SCHEMBL29608128	0.91	CXCR4 (0.57)	C5AR1APLNRCXCR4
SCHEMBL30325295	0.90	F2 (0.56)	C5AR1APLNRCXCR4NPY2RNPY4R
SCHEMBL29608108	0.90	APLNR (0.55)	C5AR1APLNRCXCR4
SCHEMBL30646310	0.89	APLNR (0.56)	C5AR1APLNRCXCR4KDM1AMAOB
SCHEMBL29416132	0.89	APLNR (0.56)	C5AR1APLNRCXCR4KDM1AMAOB
SCHEMBL29607774	0.88	APLNR (0.54)	C5AR1APLNRCXCR4
SCHEMBL31670660	0.88	NPY2R (0.66)	APLNRKDM1ANPY2RNPY4RNPY5R

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-116490215-A	Targeted mediated endocytic drug delivery	CRM医疗有限公司	2023-07-25	—	—	CN	disclosed