SCHEMBL31182446

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

nearest known ligand 0.66

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	18/20	0.66

▸	NTSR2	O95665	17/20	0.66

▸	SORT1	Q99523	15/20	0.65

▸	AGTR1	P30556	1/20	0.60

▸	AGTR2	P50052	1/20	0.60

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
SCHEMBL30584174	0.89	NTSR1 (0.66)	NTSR1NTSR2SORT1
SCHEMBL30478004	0.88	SLC6A2 (0.60)	NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL31356487	0.88	NTSR1 (0.63)	NTSR1NTSR2SORT1
SCHEMBL30204256	0.87	SLC6A2 (0.60)	NTSR1NTSR2SORT1
SCHEMBL38650937	0.87	NTSR1 (0.58)	NTSR1NTSR2SORT1
SCHEMBL29580406	0.86	NTSR1 (0.63)	NTSR1NTSR2SORT1
SCHEMBL30584176	0.86	NTSR1 (0.66)	NTSR1NTSR2SORT1
SCHEMBL29496648	0.86	NTSR1 (0.69)	NTSR1NTSR2SORT1
SCHEMBL31657713	0.86	NTSR2 (0.62)	NTSR1NTSR2SORT1
SCHEMBL30637760	0.85	NTSR1 (0.64)	NTSR1NTSR2SORT1AGTR1AGTR2

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-20240350475-A1	TRIGONELLINE MITIGATES CARDIOMYOPATHY CAUSED BY SARS-COV-2 SPIKE PROTEIN UNDER OBESITY	UNIVERSITY OF SOUTH CAROLINA (US)	2024-10-24	—	—	US	disclosed