SCHEMBL19682203

CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)(C)C)C(C)(C)S

nearest known ligand 0.56

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	13/20	0.56

▸	NTSR2	O95665	2/20	0.56

▸	SORT1	Q99523	1/20	0.56

▸	NMUR2	Q9GZQ4	2/20	0.52

▸	NMUR1	Q9HB89	2/20	0.52

▸	NPY1R	P25929	1/20	0.52

▸	OPRM1	P35372	4/20	0.50

▸	OPRK1	P41145	4/20	0.50

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
SCHEMBL19682065	0.97	NTSR1 (0.58)	NTSR1NTSR2SORT1NMUR2NMUR1
SCHEMBL19682204	0.97	NTSR1 (0.54)	NTSR1NTSR2SORT1NMUR2NMUR1
SCHEMBL19682089	0.87	NTSR1 (0.55)	NTSR1NTSR2SORT1NMUR2NMUR1
SCHEMBL30686901	0.86	NTSR1 (0.72)	NTSR1NTSR2SORT1
SCHEMBL13402619	0.85	OPRM1 (0.58)	NTSR1NTSR2SORT1NMUR2NMUR1
SCHEMBL13402670	0.84	OPRM1 (0.62)	NMUR2NMUR1NPY1ROPRM1OPRK1
SCHEMBL12523184	0.84	NTSR1 (0.60)	NTSR1NTSR2SORT1NMUR2NMUR1
SCHEMBL30943511	0.84	NMUR2 (0.58)	NTSR1NTSR2SORT1NMUR2NMUR1
SCHEMBL13402428	0.84	OPRM1 (0.58)	NTSR1NTSR2SORT1NMUR2NMUR1
SCHEMBL30943512	0.84	NTSR2 (0.56)	NTSR1NTSR2SORT1NMUR2NMUR1

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-2017210246-A2	PENICILLAMINE CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF	TARVEDA THERAPEUTICS, INC. (US)	2017-12-07	—	—	WO	disclosed