SCHEMBL30495810

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)O)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.71

▸	NPY2R	P49146	7/20	0.68

▸	NPY4R	P50391	7/20	0.68

▸	NPY5R	Q15761	7/20	0.68

▸	NPY1R	P25929	5/20	0.68

▸	GLP1R	P43220	4/20	0.67

▸	CRHR1	P34998	1/20	0.67

▸	CRHR2	Q13324	1/20	0.67

▸	TFPI	P10646	1/20	0.65

▸	F2	P00734	1/20	0.64

▸	GCGR	P47871	3/20	0.64

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
SCHEMBL29416142	0.97	CALCR (0.72)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182556	0.93	CALCR (0.70)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31148882	0.92	CALCR (0.78)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495758	0.92	CALCR (0.72)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658357	0.91	CALCR (0.75)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658283	0.91	CALCR (0.74)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31464910	0.91	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29494575	0.91	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686820	0.91	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686827	0.91	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R

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