SCHEMBL8813616

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(CP(=O)(OF)OF)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR2	O95665	18/20	0.57

▸	NTSR1	P30989	18/20	0.57

▸	SORT1	Q99523	17/20	0.57

▸	F2	P00734	1/20	0.54

▸	SLC6A2	P23975	1/20	0.52

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
SCHEMBL8420900	0.97	NTSR1 (0.62)	NTSR2NTSR1SORT1
SCHEMBL8813411	0.92	NTSR2 (0.49)	NTSR2NTSR1SORT1F2
SCHEMBL29410244	0.87	NTSR1 (0.63)	NTSR2NTSR1SORT1
SCHEMBL31061127	0.87	NTSR1 (0.63)	NTSR2NTSR1SORT1
SCHEMBL31060780	0.87	NTSR1 (0.62)	NTSR2NTSR1SORT1
SCHEMBL29541332	0.85	NTSR1 (0.63)	NTSR2NTSR1SORT1F2
SCHEMBL29571594	0.85	NTSR1 (0.62)	NTSR2NTSR1SORT1
SCHEMBL30090958	0.83	NTSR1 (0.57)	NTSR2NTSR1SORT1F2SLC6A2
SCHEMBL2039247	0.83	NTSR1 (0.69)	NTSR2NTSR1SORT1
SCHEMBL30853508	0.83	NTSR1 (0.60)	NTSR2NTSR1SORT1SLC6A2

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
WO-1997012903-A1	COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING THE BINDING OF PROTEINS CONTAINING AN SH2 DOMAIN TO COGNATE PHOSPHORYLATED PROTEINS	WARNER-LAMBERT COMPANY (US)	1997-04-10	—	—	WO	disclosed