SCHEMBL25946013

C=C(C)CCCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](NCC2CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C(NC(=O)[C@@H](CCC(=O)O)NC(=O)CC(C)C)[C@@H](C)O)C(c2ccccc2)c2ccccc2)CSSC[C@@H](C(N)O)NC(=O)[C@@H](CCCCN)NC(=O)C[C@H](Cc2ccccc2)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	SLC40A1	Q9NP59	3/20	0.48

▸	CSNK2A2	P19784	1/20	0.43

▸	CSNK2B	P67870	1/20	0.43

▸	CSNK2A1	P68400	1/20	0.43

▸	CSNK2A3	Q8NEV1	1/20	0.43

▸	NR3C1	P04150	1/20	0.43

▸	KCNA3	P22001	1/20	0.41

▸	KCNA1	Q09470	1/20	0.41

▸	RAMP3	O60896	8/20	0.41

▸	CALCR	P30988	8/20	0.41

▸	NPY2R	P49146	4/20	0.40

▸	PRLHR	P49683	1/20	0.40

▸	HSP90AB1	P08238	1/20	0.40

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
SCHEMBL26292635	0.87	RAMP3 (0.46)	SLC40A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL26292602	0.87	RAMP3 (0.49)	SLC40A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL25944583	0.85	SLC40A1 (0.46)	SLC40A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL26292629	0.85	RAMP3 (0.47)	SLC40A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL26292620	0.85	RAMP3 (0.47)	SLC40A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL26307010	0.84	NPY2R (0.48)	CSNK2A2CSNK2BCSNK2A1CSNK2A3NPY2R
SCHEMBL29311618	0.84	CSNK2A2 (0.46)	SLC40A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL29311858	0.82	KCNA3 (0.43)	SLC40A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL29311844	0.81	APLNR (0.43)	SLC40A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL25944461	0.80	HSP90AB1 (0.47)	CSNK2A2CSNK2BCSNK2A1CSNK2A3NPY2R

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-2023150630-A2	CONJUGATED HEPCIDIN MIMETICS	PROTAGONIST THERAPEUTICS, INC. (US)	2023-08-10	—	—	WO	disclosed