SCHEMBL30862317

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.64

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.57

▸	NPY4R	P50391	8/20	0.57

▸	NPY5R	Q15761	8/20	0.57

▸	NPY1R	P25929	6/20	0.57

▸	CALCR	P30988	6/20	0.56

▸	RAMP3	O60896	3/20	0.56

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	APLNR	P35414	1/20	0.53

▸	KDM1A	O60341	1/20	0.53

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
SCHEMBL30437293	0.88	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182756	0.88	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29461492	0.87	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31174208	0.86	CALCR (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578762	0.86	NTSR2 (0.60)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30578756	0.86	NTSR2 (0.61)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL32681766	0.86	APLNR (0.59)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31378887	0.86	KDM1A (0.53)	NPY2RNPY4RNPY5RNPY1RAPLNR
SCHEMBL31182685	0.86	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182846	0.86	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR

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-20240124552-A1	METHODS AND COMPOSITIONS FOR GENERATING AN IMMUNE RESPONSE BY INDUCING CD40 AND PATTERN RECOGNITION RECEPTOR ADAPTERS	BAYLOR COLLEGE OF MEDICINE	2024-04-18	—	—	US	disclosed