SCHEMBL29273722

CCCCCCCCCCCCCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H]([C]=O)Cc1ccccc1)C(C)C)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	4/20	0.63

▸	RAMP3	O60896	8/20	0.62

▸	CALCR	P30988	8/20	0.62

▸	NPY2R	P49146	7/20	0.59

▸	NPY4R	P50391	7/20	0.59

▸	NPY5R	Q15761	7/20	0.59

▸	NPY1R	P25929	5/20	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
SCHEMBL29020816	0.89	CXCR4 (0.69)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL20534064	0.89	CXCR4 (0.69)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL31359434	0.85	CALCR (0.71)	TFPICALCR
SCHEMBL20534072	0.82	NMBR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29020839	0.82	NMBR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
Acetic Acid SCHEMBL29378226	0.82	NMBR (0.66)	CALCR
SCHEMBL25311922	0.81	NMBR (0.65)	CALCRCXCR4
SCHEMBL31060662	0.80	CALCA (0.82)	TFPIRAMP3CALCRNPY2RNPY4R
SCHEMBL30364495	0.79	TFPI (0.68)	TFPIRAMP3CALCRNPY2RNPY4R
SCHEMBL29427727	0.78	PTPN1 (0.58)	TFPIRAMP3CALCRNPY2RNPY4R

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-118215469-A	Novel lipopeptide formulations	ADVAPHARM股份有限公司	2024-06-18	—	—	CN	disclosed