SCHEMBL30537453

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

nearest known ligand 0.57

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	3/20	0.57

▸	APLNR	P35414	3/20	0.56

▸	C5AR1	P21730	1/20	0.53

▸	F2	P00734	4/20	0.51

▸	NTSR1	P30989	1/20	0.51

▸	GHSR	Q92847	3/20	0.51

▸	KDM1A	O60341	1/20	0.51

▸	OPRM1	P35372	2/20	0.50

▸	OPRK1	P41145	2/20	0.50

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
SCHEMBL30537456	0.93	APLNR (0.55)	CXCR4APLNRC5AR1NTSR1GHSR
SCHEMBL29416132	0.92	APLNR (0.56)	CXCR4APLNRC5AR1F2GHSR
SCHEMBL30646310	0.92	APLNR (0.56)	CXCR4APLNRC5AR1F2GHSR
SCHEMBL30512692	0.91	C5AR1 (0.58)	CXCR4APLNRC5AR1KDM1A
SCHEMBL31307222	0.91	C5AR1 (0.56)	CXCR4APLNRC5AR1KDM1A
SCHEMBL29607540	0.90	C5AR1 (0.56)	CXCR4APLNRC5AR1F2OPRM1
SCHEMBL4807604	0.90	APLNR (0.56)	CXCR4APLNRC5AR1NTSR1OPRM1
SCHEMBL4807584	0.90	APLNR (0.56)	CXCR4APLNRC5AR1NTSR1OPRM1
SCHEMBL29608128	0.90	CXCR4 (0.57)	CXCR4APLNRC5AR1OPRM1OPRK1
SCHEMBL31307221	0.90	C5AR1 (0.57)	CXCR4APLNRC5AR1

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-113480602-B	Pumpkin seed zinc complex peptide and sequence thereof	江南大学	2023-07-25	—	—	CN	disclosed