SCHEMBL31182849

CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	4/20	0.61

▸	CALCR	P30988	4/20	0.61

▸	RAMP3	O60896	1/20	0.61

▸	NPY2R	P49146	7/20	0.60

▸	NPY4R	P50391	7/20	0.60

▸	NPY5R	Q15761	7/20	0.60

▸	NPY1R	P25929	5/20	0.60

▸	EP300	Q09472	1/20	0.60

▸	HIF1A	Q16665	1/20	0.60

▸	CXCL8	P10145	1/20	0.59

▸	NMUR2	Q9GZQ4	1/20	0.58

▸	NMUR1	Q9HB89	1/20	0.58

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
SCHEMBL30436240	0.90	RAMP3 (0.64)	TFPICALCRRAMP3NPY2RNPY4R
SCHEMBL29523674	0.89	CALCR (0.70)	TFPICALCRNPY2RNPY4RNPY5R
SCHEMBL29410232	0.89	KEAP1 (0.67)	TFPICALCRRAMP3NPY2RNPY4R
SCHEMBL30495841	0.89	NPY2R (0.67)	TFPICALCRRAMP3NPY2RNPY4R
SCHEMBL30804648	0.88	NPY2R (0.63)	TFPICALCRRAMP3NPY2RNPY4R
SCHEMBL31295738	0.88	TFPI (0.64)	TFPICALCRNPY2RNPY4RNPY5R
SCHEMBL31182744	0.88	NPY2R (0.67)	TFPICALCRRAMP3NPY2RNPY4R
SCHEMBL22263594	0.88	NPY2R (0.67)	TFPICALCRRAMP3NPY2RNPY4R
SCHEMBL31683303	0.87	NPY2R (0.66)	TFPICALCRRAMP3NPY2RNPY4R
SCHEMBL30423064	0.87	KEAP1 (0.69)	TFPICALCRRAMP3NPY2RNPY4R

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