SCHEMBL7418444

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C]=O)CCCNC(=N)N

nearest known ligand 0.47

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	5/20	0.46

▸	KEAP1	Q14145	2/20	0.45

▸	NPY4R	P50391	4/20	0.44

▸	NPY1R	P25929	2/20	0.44

▸	NPY2R	P49146	2/20	0.44

▸	NPY5R	Q15761	2/20	0.44

▸	EIF4E	P06730	2/20	0.44

▸	EIF4EBP1	Q13541	2/20	0.44

▸	F2	P00734	2/20	0.43

▸	PTPN1	P18031	1/20	0.43

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
SCHEMBL7469236	0.95	IL23R (0.48)	IL23RKEAP1NPY4RNPY1RNPY2R
SCHEMBL7467426	0.91	PTH1R (0.48)	IL23R
SCHEMBL7265311	0.88	PTH1R (0.50)	—
SCHEMBL7420426	0.83	NPY4R (0.48)	KEAP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL7415877	0.82	F2 (0.47)	NPY4RNPY1RNPY2RNPY5RF2
SCHEMBL9149396	0.82	NPY4R (0.49)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL9149411	0.82	NPY4R (0.49)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL7414767	0.82	F2 (0.49)	KEAP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL7467806	0.81	NPY4R (0.47)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL7420309	0.81	MAPK8 (0.44)	IL23RKEAP1EIF4EEIF4EBP1

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
WO-1990014362-A1	ATRIAL PEPTIDE DERIVATIVES	ABBOTT LABORATORIES (US)	1990-11-29	—	—	WO	disclosed