SCHEMBL31415956

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A2	P23975	2/20	0.61

▸	F2	P00734	1/20	0.57

▸	CALCRL	Q16602	6/20	0.57

▸	NTSR2	O95665	2/20	0.51

▸	NTSR1	P30989	2/20	0.51

▸	SORT1	Q99523	2/20	0.51

▸	OPRK1	P41145	1/20	0.51

▸	ACE	P12821	1/20	0.51

▸	RAMP1	O60894	1/20	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
SCHEMBL31415946	0.96	SLC6A2 (0.63)	SLC6A2F2CALCRLOPRK1ACE
SCHEMBL31307265	0.95	SLC6A2 (0.58)	SLC6A2F2CALCRLNTSR2NTSR1
SCHEMBL29701313	0.92	CALCRL (0.59)	SLC6A2F2CALCRLNTSR2NTSR1
SCHEMBL29679999	0.89	CALCRL (0.55)	SLC6A2F2CALCRLACERAMP1
SCHEMBL30242217	0.88	CALCRL (0.57)	SLC6A2F2CALCRLOPRK1RAMP1
SCHEMBL30923399	0.87	SLC6A2 (0.58)	SLC6A2F2CALCRLNTSR2NTSR1
SCHEMBL30327462	0.87	SLC6A2 (0.59)	SLC6A2F2CALCRLNTSR2NTSR1
SCHEMBL30658583	0.86	F2 (0.58)	SLC6A2F2CALCRLNTSR2NTSR1
SCHEMBL30658558	0.86	F2 (0.56)	SLC6A2F2CALCRLOPRK1ACE
SCHEMBL30752392	0.85	SLC6A2 (0.71)	SLC6A2F2NTSR2NTSR1SORT1

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-2025002590-A1	TISSUE MHC CLASS I IMMUNOPEPTIDE PATTERN DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST NON-SMALL CELL LUNG CANCER (NSCLC), IDENTIFICATION AND ISOLATION OF NSCLC SPECIFIC T CELLS IN HUMANS	UNIWERSYTET GDÁNSKI (PL)	2025-01-02	—	—	WO	disclosed