SCHEMBL29805325

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.44

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	12/20	0.44

▸	CTSD	P07339	1/20	0.44

▸	GLP1R	P43220	5/20	0.43

▸	SCTR	P47872	1/20	0.42

▸	ERBB2	P04626	1/20	0.42

▸	BACE2	Q9Y5Z0	2/20	0.42

▸	MAGI3	Q5TCQ9	1/20	0.41

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
SCHEMBL31257073	0.96	MAGI3 (0.44)	BACE1CTSDGLP1RSCTRERBB2
SCHEMBL31257083	0.92	BACE1 (0.43)	BACE1CTSDGLP1RSCTRERBB2
SCHEMBL31257072	0.90	MAGI3 (0.48)	BACE1GLP1RMAGI3
SCHEMBL31257065	0.89	MAGI3 (0.42)	BACE1CTSDGLP1RSCTRERBB2
SCHEMBL31256972	0.89	BACE1 (0.48)	BACE1CTSDBACE2
SCHEMBL30123019	0.87	MAGI3 (0.44)	BACE1CTSDGLP1RSCTRERBB2
SCHEMBL29805149	0.87	CALCR (0.48)	BACE1GLP1RSCTRERBB2
SCHEMBL30974284	0.87	GLP1R (0.46)	GLP1RSCTR
SCHEMBL30320554	0.86	BACE1 (0.51)	BACE1CTSDGLP1RSCTRBACE2
SCHEMBL31257050	0.86	BACE1 (0.42)	BACE1CTSDGLP1RSCTRERBB2

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-3060924-B1	PIF-TRANSFECTED CELLS AND METHODS OF USE	BIOINCEPT LLC (US)	2022-06-01	—	—	EP	disclosed