SCHEMBL30512556

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.62

▸	RAMP3	O60896	15/20	0.55

▸	CALCR	P30988	15/20	0.55

▸	CXCR4	P61073	1/20	0.52

▸	F2	P00734	1/20	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
SCHEMBL29903323	0.90	APLNR (0.58)	APLNRRAMP3CALCRCXCR4
SCHEMBL30607293	0.88	APLNR (0.59)	APLNRRAMP3CALCR
SCHEMBL9295042	0.87	RAMP3 (0.52)	APLNRRAMP3CALCRCXCR4
SCHEMBL9295015	0.87	RAMP3 (0.52)	APLNRRAMP3CALCRCXCR4
SCHEMBL30433512	0.87	APLNR (0.61)	APLNRRAMP3CALCRF2
SCHEMBL30884598	0.87	RAMP3 (0.61)	APLNRRAMP3CALCRCXCR4F2
SCHEMBL31461953	0.86	RAMP3 (0.58)	APLNRRAMP3CALCRCXCR4
SCHEMBL31182565	0.86	CXCR4 (0.63)	RAMP3CALCRCXCR4
SCHEMBL29606819	0.86	APLNR (0.57)	APLNRRAMP3CALCR
SCHEMBL29566093	0.86	RAMP3 (0.57)	RAMP3CALCRCXCR4

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