SCHEMBL31280899

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	14/20	0.74

▸	NTSR2	O95665	9/20	0.74

▸	SORT1	Q99523	6/20	0.74

▸	OPRM1	P35372	1/20	0.69

▸	OPRD1	P41143	1/20	0.69

▸	OPRK1	P41145	1/20	0.69

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
SCHEMBL29725007	0.91	NTSR2 (0.71)	NTSR1NTSR2SORT1OPRM1OPRD1
SCHEMBL29416842	0.90	NTSR1 (0.87)	NTSR1NTSR2SORT1
SCHEMBL29398203	0.90	NTSR1 (0.87)	NTSR1NTSR2SORT1
SCHEMBL30472155	0.90	NTSR1 (0.87)	NTSR1NTSR2SORT1
SCHEMBL30623611	0.89	NTSR1 (0.65)	NTSR1NTSR2SORT1OPRM1OPRD1
SCHEMBL29361023	0.89	NTSR1 (0.74)	NTSR1NTSR2SORT1OPRM1OPRD1
SCHEMBL29496684	0.89	NTSR2 (0.67)	NTSR1NTSR2SORT1OPRM1OPRD1
SCHEMBL29894426	0.88	NTSR1 (0.63)	NTSR1NTSR2SORT1OPRM1OPRD1
SCHEMBL29414469	0.88	NTSR1 (0.62)	NTSR1NTSR2SORT1OPRM1OPRD1
SCHEMBL30880437	0.88	NTSR1 (0.82)	NTSR1NTSR2SORT1

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
CN-111787930-B	Screening of T lymphocytes for cancer specific antigens	芝加哥大学	2024-12-20	—	—	CN	disclosed