SCHEMBL30107616

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	2/20	0.49

▸	VIPR1	P32241	3/20	0.48

▸	BACE1	P56817	3/20	0.48

▸	BACE2	Q9Y5Z0	2/20	0.48

▸	VIPR2	P41587	5/20	0.48

▸	NTSR2	O95665	1/20	0.47

▸	NTSR1	P30989	1/20	0.47

▸	IL23R	Q5VWK5	2/20	0.46

▸	GLP1R	P43220	2/20	0.46

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
SCHEMBL30784853	0.88	BACE1 (0.56)	F2BACE1BACE2VIPR2NTSR2
SCHEMBL29462368	0.87	VIPR2 (0.50)	F2VIPR1BACE1BACE2VIPR2
SCHEMBL29425538	0.87	VIPR2 (0.51)	F2VIPR1BACE1BACE2VIPR2
SCHEMBL29466598	0.86	VIPR2 (0.54)	F2VIPR1BACE1BACE2VIPR2
SCHEMBL30883223	0.86	GLP1R (0.62)	VIPR1BACE1GLP1R
SCHEMBL30512765	0.85	BACE1 (0.59)	BACE1BACE2VIPR2
SCHEMBL30362779	0.85	VIPR2 (0.53)	F2VIPR1BACE1BACE2VIPR2
SCHEMBL30445824	0.85	NTSR2 (0.56)	F2BACE1BACE2NTSR2NTSR1
SCHEMBL30512499	0.85	F2 (0.51)	F2NTSR2NTSR1IL23R
SCHEMBL29523711	0.84	BACE1 (0.56)	BACE1BACE2

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-2023004424-A2	GENETICALLY ENGINEERED MULTIFUNCTIONAL EXOSOMES FOR IMMUNOTHERAPY	UNIVERSITY OF SOUTHERN CALIFORNIA (US)	2023-01-26	—	—	WO	disclosed