SCHEMBL6524113

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	15/20	0.47

▸	NTSR2	O95665	13/20	0.47

▸	SORT1	Q99523	11/20	0.47

▸	XIAP	P98170	1/20	0.45

▸	OPRD1	P41143	1/20	0.44

▸	F2	P00734	1/20	0.43

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
SCHEMBL30539771	0.83	CTSD (0.42)	NTSR1NTSR2
SCHEMBL30411548	0.82	NTSR1 (0.45)	NTSR1NTSR2SORT1OPRD1
SCHEMBL31289489	0.82	XIAP (0.52)	NTSR1NTSR2SORT1XIAP
SCHEMBL30874709	0.81	XIAP (0.53)	NTSR1NTSR2SORT1XIAPF2
SCHEMBL31319372	0.81	F2 (0.52)	NTSR1NTSR2SORT1F2
SCHEMBL30193602	0.81	DPP4 (0.43)	XIAPOPRD1F2
SCHEMBL31362663	0.81	CAPN1 (0.51)	NTSR1NTSR2SORT1XIAP
SCHEMBL30449622	0.80	KEAP1 (0.48)	—
SCHEMBL31461965	0.80	EP300 (0.46)	NTSR1OPRD1F2
SCHEMBL2195159	0.80	XIAP (0.54)	NTSR1NTSR2SORT1XIAP

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-20050100951-A1	3D format biochips and method of use	BIOCEPT, INC. (US)	2005-05-12	—	—	US	disclosed