SCHEMBL30884597

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.60

▸	APLNR	P35414	2/20	0.59

▸	CALCR	P30988	15/20	0.59

▸	RAMP3	O60896	11/20	0.59

▸	CXCR4	P61073	1/20	0.58

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
SCHEMBL30884598	0.95	RAMP3 (0.61)	C5AR1APLNRCALCRRAMP3CXCR4
SCHEMBL30432079	0.91	CXCR4 (0.61)	C5AR1APLNRCALCRRAMP3CXCR4
SCHEMBL31529690	0.91	APLNR (0.60)	C5AR1APLNRCALCRRAMP3CXCR4
SCHEMBL38660049	0.91	CALCR (0.62)	C5AR1CALCRRAMP3CXCR4
SCHEMBL30884600	0.90	RAMP3 (0.59)	CALCRRAMP3CXCR4
SCHEMBL31182565	0.89	CXCR4 (0.63)	CALCRRAMP3CXCR4
SCHEMBL31118810	0.88	RAMP3 (0.61)	C5AR1CALCRRAMP3CXCR4
SCHEMBL29662181	0.88	CALCR (0.58)	C5AR1CALCRRAMP3CXCR4
SCHEMBL31307221	0.88	C5AR1 (0.57)	C5AR1APLNRCALCRRAMP3CXCR4
SCHEMBL29968139	0.88	RAMP3 (0.59)	CALCRRAMP3CXCR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-117986664-B	Adsorption material for removing endotoxin and preparation method and application thereof	重庆希尔康血液净化器材研发有限公司	2024-09-06	—	—	CN	disclosed
CN-117986664-A	Adsorption material for removing endotoxin and preparation method and application thereof	重庆希尔康血液净化器材研发有限公司	2024-05-07	—	—	CN	disclosed