SCHEMBL30862312

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](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(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.66

▸	NPY2R	P49146	1/20	0.66

▸	NPY4R	P50391	1/20	0.66

▸	NPY5R	Q15761	1/20	0.66

▸	CXCR4	P61073	8/20	0.66

▸	GIPR	P48546	3/20	0.60

▸	GCGR	P47871	1/20	0.60

▸	CALCA	P06881	2/20	0.60

▸	RAMP3	O60896	3/20	0.59

▸	CALCR	P30988	3/20	0.59

▸	GLP1R	P43220	3/20	0.59

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
SCHEMBL29843747	0.90	NPY1R (0.73)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182712	0.89	NPY2R (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30666385	0.88	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30607317	0.88	KEAP1 (0.67)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31073511	0.88	CXCR4 (0.61)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30423138	0.88	CXCR4 (0.69)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30666381	0.88	CALCA (0.65)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30435876	0.87	NPY1R (0.66)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29437877	0.87	GLP1R (0.65)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL38654334	0.87	NPY2R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R

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