SCHEMBL24725152

CC(C)C[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](NC=O)C[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	PCSK9	Q8NBP7	1/20	0.55

▸	KLKB1	P03952	7/20	0.51

▸	EPHA2	P29317	2/20	0.51

▸	CHRNA7	P36544	1/20	0.47

▸	PDCD1	Q15116	2/20	0.47

▸	CD274	Q9NZQ7	2/20	0.47

▸	MC4R	P32245	6/20	0.47

▸	MC5R	P33032	6/20	0.47

▸	MC3R	P41968	6/20	0.47

▸	MC1R	Q01726	6/20	0.47

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
SCHEMBL24724797	0.96	PCSK9 (0.56)	PCSK9KLKB1EPHA2CHRNA7PDCD1
SCHEMBL27180246	0.93	PCSK9 (0.57)	PCSK9KLKB1EPHA2CHRNA7PDCD1
SCHEMBL24724792	0.93	PCSK9 (0.52)	PCSK9KLKB1EPHA2CHRNA7PDCD1
SCHEMBL24724872	0.90	PCSK9 (0.56)	PCSK9KLKB1EPHA2PDCD1CD274
SCHEMBL24725080	0.88	PCSK9 (0.51)	PCSK9KLKB1EPHA2CHRNA7MC4R
SCHEMBL24725266	0.88	PCSK9 (0.51)	PCSK9KLKB1EPHA2CHRNA7MC4R
SCHEMBL24725278	0.88	PCSK9 (0.51)	PCSK9KLKB1EPHA2CHRNA7MC4R
SCHEMBL24933000	0.88	EPHA2 (0.56)	PCSK9KLKB1EPHA2CHRNA7PDCD1
SCHEMBL24724808	0.88	EPHA2 (0.57)	PCSK9KLKB1EPHA2CHRNA7PDCD1
SCHEMBL24725623	0.87	EPHA2 (0.52)	PCSK9KLKB1EPHA2CHRNA7PDCD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2022235699-A2	POTENT ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF IMMUNOGLOBULINS AND OTHER PROTEINS	AVILAR THERAPEUTICS, INC. (US)	2022-11-10	—	—	WO	disclosed
US-9611274-B2	Macrocycles as factor XIa inhibitors	BRISTOL-MYERS SQUIBB COMPANY (US)	2017-04-04	—	—	US	disclosed