SCHEMBL30495709

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CN)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	15/20	0.52

▸	NPY1R	P25929	10/20	0.52

▸	NPY5R	Q15761	9/20	0.52

▸	NPY2R	P49146	6/20	0.52

▸	TFPI	P10646	1/20	0.49

▸	QRFPR	Q96P65	1/20	0.47

▸	IL23R	Q5VWK5	1/20	0.46

▸	NMUR2	Q9GZQ4	1/20	0.46

▸	NMUR1	Q9HB89	1/20	0.46

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
SCHEMBL30509261	0.95	NPY4R (0.53)	NPY4RNPY1RNPY5RNPY2RQRFPR
SCHEMBL13107806	0.95	NPY4R (0.53)	NPY4RNPY1RNPY5RNPY2RQRFPR
SCHEMBL29993069	0.95	NPY4R (0.53)	NPY4RNPY1RNPY5RNPY2RQRFPR
SCHEMBL29590830	0.94	NPY4R (0.53)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30111249	0.94	NPY4R (0.52)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL2790810	0.92	NPY4R (0.54)	NPY4RNPY1RNPY5RNPY2R
SCHEMBL2790809	0.92	NPY4R (0.54)	NPY4RNPY1RNPY5RNPY2R
SCHEMBL30521958	0.91	NPY4R (0.53)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL21481072	0.90	NPY4R (0.59)	NPY4RNPY1RNPY5RNPY2RQRFPR
SCHEMBL29391074	0.90	NPY4R (0.59)	NPY4RNPY1RNPY5RNPY2RQRFPR

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-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed