SCHEMBL9058997

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	9/20	0.56

▸	CALCR	P30988	9/20	0.56

▸	KEAP1	Q14145	2/20	0.52

▸	NPY2R	P49146	7/20	0.50

▸	NPY4R	P50391	7/20	0.50

▸	NPY5R	Q15761	7/20	0.50

▸	NPY1R	P25929	5/20	0.50

▸	CALCRL	Q16602	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
SCHEMBL9058995	1.00	RAMP3 (0.56)	RAMP3CALCRKEAP1NPY2RNPY4R
SCHEMBL30974349	0.89	RAMP3 (0.69)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30402066	0.89	NPY2R (0.52)	RAMP3CALCRKEAP1NPY2RNPY4R
SCHEMBL30974597	0.88	RAMP3 (0.68)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31031585	0.88	RAMP3 (0.63)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30906499	0.88	NPY2R (0.51)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30906387	0.88	RAMP3 (0.54)	RAMP3CALCR
SCHEMBL31419688	0.88	RAMP3 (0.51)	RAMP3CALCRKEAP1NPY2RNPY4R
SCHEMBL30401193	0.88	NPY2R (0.52)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30401046	0.87	RAMP3 (0.48)	RAMP3CALCRKEAP1CALCRL

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-1996018646-A2	HEAT SHOCK PROTEIN PEPTIDES AND METHODS FOR MODULATING AUTOIMMUNE CENTRAL NERVOUS SYSTEM DISEASE	REGENTS OF THE UNIVERSITY OF MINNESOTA (US)	1996-06-20	—	—	WO	disclosed