SCHEMBL30428639

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

nearest known ligand 0.56

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	4/20	0.56

▸	GLP1R	P43220	1/20	0.56

▸	GCGR	P47871	1/20	0.56

▸	GIPR	P48546	1/20	0.56

▸	BACE2	Q9Y5Z0	2/20	0.55

▸	VIPR1	P32241	3/20	0.54

▸	VIPR2	P41587	5/20	0.53

▸	IL23R	Q5VWK5	1/20	0.51

▸	KISS1R	Q969F8	3/20	0.51

▸	TFPI	P10646	1/20	0.50

▸	CRHR1	P34998	1/20	0.49

▸	CRHR2	Q13324	1/20	0.49

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
SCHEMBL31683306	0.95	GLP1R (0.57)	BACE1GLP1RGCGRGIPRBACE2
SCHEMBL30648478	0.93	GLP1R (0.57)	BACE1GLP1RGCGRGIPRBACE2
SCHEMBL31182625	0.93	BACE1 (0.57)	BACE1GLP1RGCGRGIPRBACE2
SCHEMBL31575700	0.92	TFPI (0.55)	BACE1GLP1RGCGRGIPRBACE2
SCHEMBL31182459	0.90	GLP1R (0.56)	BACE1GLP1RGCGRGIPRBACE2
SCHEMBL31575683	0.90	VIPR1 (0.61)	BACE1GLP1RVIPR1VIPR2CRHR1
SCHEMBL38664549	0.90	GLP1R (0.52)	BACE1GLP1RGCGRGIPRVIPR1
SCHEMBL30906345	0.90	BACE1 (0.65)	BACE1GLP1RGCGRGIPRBACE2
SCHEMBL30880889	0.90	BACE1 (0.54)	BACE1GLP1RGCGRGIPRBACE2
SCHEMBL30320569	0.89	BACE1 (0.58)	BACE1BACE2VIPR1VIPR2KISS1R

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
US-20230165951-A1	Engineering, production and characterization of plant produced Nucleocapsid and Spike structural proteins of SARS CoV 2 as vaccine candidates against COVID19	MAMEDOV TARLAN (TR)	2023-06-01	—	—	US	disclosed