SCHEMBL30495699

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.73

▸	NPY2R	P49146	7/20	0.70

▸	NPY4R	P50391	7/20	0.70

▸	NPY5R	Q15761	7/20	0.70

▸	NPY1R	P25929	5/20	0.70

▸	TFPI	P10646	2/20	0.69

▸	F2	P00734	4/20	0.69

▸	CRHR1	P34998	1/20	0.67

▸	CRHR2	Q13324	1/20	0.67

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
SCHEMBL29377468	0.97	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29522561	0.96	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29939723	0.94	CALCR (0.79)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30063048	0.94	CALCR (0.75)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182518	0.94	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686817	0.94	CALCR (0.75)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686828	0.94	CALCR (0.75)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686821	0.94	CALCR (0.75)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686832	0.94	CALCR (0.75)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686816	0.94	CALCR (0.75)	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