SCHEMBL29973477

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	2/20	0.60

▸	TFPI	P10646	1/20	0.57

▸	VIPR2	P41587	5/20	0.53

▸	VIPR1	P32241	3/20	0.53

▸	ECE1	P42892	1/20	0.53

▸	GLP1R	P43220	1/20	0.53

▸	MUS81	Q96NY9	1/20	0.53

▸	KEAP1	Q14145	1/20	0.52

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
SCHEMBL29836295	0.91	GLP1R (0.58)	TFPIVIPR2VIPR1GLP1R
SCHEMBL29445553	0.89	TFPI (0.59)	TFPIKEAP1
SCHEMBL30883269	0.88	GLP1R (0.60)	BACE1TFPIVIPR2VIPR1ECE1
SCHEMBL30168712	0.88	GLP1R (0.59)	TFPIVIPR2VIPR1GLP1R
SCHEMBL30713461	0.88	BACE1 (0.61)	BACE1VIPR2VIPR1
SCHEMBL29409598	0.87	TFPI (0.61)	TFPIVIPR2VIPR1ECE1GLP1R
SCHEMBL29591183	0.87	TFPI (0.67)	BACE1TFPIVIPR1ECE1GLP1R
SCHEMBL30637777	0.86	GLP1R (0.58)	BACE1TFPIVIPR2VIPR1ECE1
SCHEMBL30637775	0.86	GLP1R (0.58)	BACE1TFPIVIPR2VIPR1ECE1
SCHEMBL29385916	0.86	BACE1 (0.58)	BACE1GLP1R

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
EP-4067370-A1	HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS	Yu, Chongxi (US)	2022-10-05	—	—	EP	disclosed