SCHEMBL30495679

CSCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.55

▸	CRHR1	P34998	1/20	0.52

▸	CRHR2	Q13324	1/20	0.52

▸	APLNR	P35414	2/20	0.51

▸	F2	P00734	4/20	0.49

▸	CTSL	P07711	3/20	0.49

▸	CTSS	P25774	3/20	0.49

▸	CTSK	P43235	3/20	0.49

▸	CTSH	P09668	1/20	0.49

▸	NMBR	P28336	1/20	0.48

▸	GRPR	P30550	1/20	0.48

▸	GLP1R	P43220	2/20	0.47

▸	GCGR	P47871	2/20	0.47

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
SCHEMBL29706318	0.90	CALCR (0.54)	CALCRCRHR1CRHR2APLNRF2
SCHEMBL29374929	0.90	APLNR (0.61)	CALCRCRHR1CRHR2APLNRCTSL
SCHEMBL31295723	0.88	CALCR (0.66)	CALCRCRHR1CRHR2APLNRF2
SCHEMBL30511758	0.87	CALCR (0.58)	CALCRCRHR1CRHR2APLNRCTSL
SCHEMBL29674857	0.87	F2 (0.52)	CALCRCRHR1CRHR2APLNRF2
SCHEMBL26373831	0.86	CTSL (0.49)	CALCRCRHR1CRHR2APLNRCTSL
SCHEMBL29416078	0.85	CALCR (0.57)	CALCRCRHR1CRHR2F2CTSL
SCHEMBL30205303	0.85	CTSL (0.53)	CALCRCRHR1CRHR2APLNRCTSL
SCHEMBL30123069	0.84	CALCRL (0.52)	CALCRCRHR1CRHR2F2
SCHEMBL31182973	0.84	CALCR (0.62)	CALCRCRHR1CRHR2F2GLP1R

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