SCHEMBL25944461

CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CC(C)C)[C@@H](C)O)C(c2ccccc2)c2ccccc2)CSSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	HSP90AB1	P08238	1/20	0.47

▸	NPY2R	P49146	5/20	0.46

▸	CTNNB1	P35222	2/20	0.46

▸	INSR	P06213	1/20	0.45

▸	CSNK2A2	P19784	1/20	0.44

▸	CSNK2B	P67870	1/20	0.44

▸	CSNK2A1	P68400	1/20	0.44

▸	CSNK2A3	Q8NEV1	1/20	0.44

▸	TFPI	P10646	5/20	0.44

▸	EGFR	P00533	1/20	0.43

▸	LCK	P06239	1/20	0.43

▸	F11	P03951	1/20	0.43

▸	PRLHR	P49683	2/20	0.42

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
SCHEMBL25944583	0.94	SLC40A1 (0.46)	HSP90AB1NPY2RCTNNB1INSRCSNK2A2
SCHEMBL26292635	0.94	RAMP3 (0.46)	HSP90AB1NPY2RCTNNB1CSNK2A2CSNK2B
SCHEMBL26305035	0.93	NPY2R (0.47)	HSP90AB1NPY2RCTNNB1INSRCSNK2A2
SCHEMBL25944441	0.91	HSP90AB1 (0.42)	HSP90AB1NPY2RCTNNB1INSRCSNK2A2
SCHEMBL26307010	0.90	NPY2R (0.48)	HSP90AB1NPY2RCTNNB1INSRCSNK2A2
SCHEMBL26292602	0.87	RAMP3 (0.49)	NPY2RCTNNB1CSNK2A2CSNK2BCSNK2A1
SCHEMBL26292629	0.85	RAMP3 (0.47)	CTNNB1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL26292620	0.85	RAMP3 (0.47)	CTNNB1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL29311757	0.84	CSNK2A2 (0.43)	NPY2RCTNNB1INSRCSNK2A2CSNK2B
SCHEMBL29311547	0.84	CSNK2A2 (0.43)	NPY2RCTNNB1INSRCSNK2A2CSNK2B

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