SCHEMBL29918949

N=C(N)NCCC[C@H](N)C(=O)N[C@H](CS)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CS)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(N)=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	9/20	0.42

▸	NPY1R	P25929	5/20	0.42

▸	NPY2R	P49146	4/20	0.42

▸	NPY5R	Q15761	4/20	0.42

▸	OPRM1	P35372	1/20	0.38

▸	IL23R	Q5VWK5	3/20	0.38

▸	FOLH1	Q04609	1/20	0.37

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
SCHEMBL31699750	0.97	NPY4R (0.41)	NPY4RNPY1RNPY2RNPY5ROPRM1
Trifluoroacetic Acid SCHEMBL27086526	0.95	NPY4R (0.41)	NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL29375065	0.94	NPY4R (0.44)	NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL32690448	0.93	FOLH1 (0.44)	NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL30515733	0.92	NPY4R (0.44)	NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL31385537	0.92	NPY4R (0.44)	NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL10944519	0.91	NPY4R (0.48)	NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL5049227	0.90	NPY4R (0.47)	NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL6256584	0.90	NPY4R (0.47)	NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL1370914	0.90	NPY4R (0.47)	NPY4RNPY1RNPY2RNPY5RFOLH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4319800-A1	COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER	Dana-Farber Cancer Institute, Inc. (US)	2024-02-14	—	—	EP	disclosed
WO-2022216942-A1	COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER	DANA-FARBER CANCER INSTITUTE, INC. (US)	2022-10-13	—	—	WO	disclosed