SCHEMBL30495663

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

nearest known ligand 0.71

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.71

▸	CALCR	P30988	4/20	0.69

▸	CRHR1	P34998	1/20	0.64

▸	CRHR2	Q13324	1/20	0.64

▸	TFPI	P10646	4/20	0.63

▸	HCRTR1	O43613	1/20	0.61

▸	HCRTR2	O43614	1/20	0.61

▸	C5AR1	P21730	1/20	0.60

▸	NMBR	P28336	1/20	0.60

▸	GRPR	P30550	1/20	0.60

▸	NPY2R	P49146	2/20	0.60

▸	NPY4R	P50391	2/20	0.60

▸	NPY5R	Q15761	2/20	0.60

▸	NPY1R	P25929	1/20	0.60

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
SCHEMBL30432123	0.91	CALCR (0.68)	F2CALCRCRHR1CRHR2TFPI
SCHEMBL30432393	0.91	F2 (0.72)	F2CALCRCRHR1CRHR2TFPI
SCHEMBL29939733	0.91	CALCR (0.73)	F2CALCRCRHR1CRHR2TFPI
SCHEMBL30576931	0.91	F2 (0.73)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL31182473	0.91	NPY2R (0.70)	F2CALCRTFPINPY2RNPY4R
SCHEMBL30432646	0.90	CALCR (0.67)	F2CALCRTFPIC5AR1NPY2R
SCHEMBL30712965	0.89	CALCR (0.71)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30176473	0.89	CALCR (0.64)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL31182521	0.89	F2 (0.73)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30712932	0.89	F2 (0.65)	F2CALCRCRHR1CRHR2HCRTR1

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