SCHEMBL30495747

CSCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.56

▸	CALCR	P30988	4/20	0.53

▸	CTSL	P07711	3/20	0.53

▸	CTSS	P25774	3/20	0.53

▸	CTSK	P43235	3/20	0.53

▸	CTSH	P09668	1/20	0.53

▸	F2	P00734	4/20	0.51

▸	C5AR1	P21730	2/20	0.51

▸	MC4R	P32245	1/20	0.50

▸	CRHR1	P34998	1/20	0.49

▸	CRHR2	Q13324	1/20	0.49

▸	ITGB3	P05106	1/20	0.49

▸	ITGAV	P06756	1/20	0.49

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
SCHEMBL30102058	0.87	CALCR (0.55)	APLNRCALCRCTSLCTSSCTSK
SCHEMBL29655882	0.86	CALCR (0.60)	APLNRCALCRCTSLCTSSCTSK
SCHEMBL30495842	0.86	CALCR (0.62)	APLNRCALCRCTSLCTSSCTSK
SCHEMBL29655893	0.86	APLNR (0.61)	APLNRCALCRF2CRHR1CRHR2
SCHEMBL30205303	0.86	CTSL (0.53)	APLNRCALCRCTSLCTSSCTSK
SCHEMBL31031466	0.85	C5AR1 (0.46)	APLNRCTSLCTSSCTSKCTSH
SCHEMBL29568566	0.85	C5AR1 (0.50)	APLNRCTSLCTSSCTSKF2
SCHEMBL30969039	0.84	APLNR (0.55)	APLNRCALCRCTSLCTSSCTSK
SCHEMBL31485759	0.84	APLNR (0.50)	APLNRCALCRCTSLCTSSCTSK
SCHEMBL31041698	0.83	CALCR (0.49)	APLNRCALCRF2C5AR1

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