SCHEMBL9540702

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	F13A1	P00488	2/20	0.57

▸	TGM2	P21980	2/20	0.57

▸	NTSR1	P30989	10/20	0.57

▸	NTSR2	O95665	7/20	0.57

▸	SORT1	Q99523	4/20	0.57

▸	CAPN1	P07384	2/20	0.51

▸	CTSB	P07858	2/20	0.51

▸	REN	P00797	3/20	0.51

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
SCHEMBL9540762	0.87	NTSR1 (0.69)	NTSR1NTSR2SORT1
SCHEMBL29913297	0.84	NTSR2 (0.65)	F13A1TGM2NTSR1NTSR2SORT1
SCHEMBL30216754	0.84	NTSR2 (0.62)	F13A1TGM2NTSR1NTSR2SORT1
SCHEMBL30974309	0.84	OPRD1 (0.62)	NTSR1NTSR2SORT1
SCHEMBL29350127	0.81	NTSR2 (0.63)	NTSR1NTSR2SORT1REN
SCHEMBL30974182	0.80	NTSR2 (0.70)	F13A1TGM2NTSR1NTSR2SORT1
SCHEMBL9539744	0.80	NTSR1 (0.59)	NTSR1NTSR2SORT1
SCHEMBL31186671	0.80	F13A1 (0.57)	F13A1TGM2NTSR1NTSR2SORT1
SCHEMBL31186670	0.80	F13A1 (0.57)	F13A1TGM2NTSR1NTSR2SORT1
SCHEMBL31186673	0.80	F13A1 (0.57)	F13A1TGM2NTSR1NTSR2SORT1

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-1993000359-A1	MODIFIED PEPTIDES TRANSPORTABLE INTO THE CENTRAL NERVOUS SYSTEM	THE DU PONT MERCK PHARMACEUTICAL COMPANY (US)	1993-01-07	—	—	WO	claimed