SCHEMBL31182470

CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(C)C

nearest known ligand 0.77

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.63

▸	NPY2R	P49146	8/20	0.61

▸	NPY4R	P50391	8/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY1R	P25929	6/20	0.61

▸	CRHR1	P34998	1/20	0.61

▸	CRHR2	Q13324	1/20	0.61

▸	KDM1A	O60341	2/20	0.55

▸	MAOB	P27338	1/20	0.54

▸	KDM5A	P29375	1/20	0.54

▸	KDM1B	Q8NB78	1/20	0.54

▸	EP300	Q09472	1/20	0.54

▸	HIF1A	Q16665	1/20	0.54

▸	NTSR1	P30989	1/20	0.54

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
SCHEMBL11598563	0.90	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30607383	0.89	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182965	0.89	CALCR (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31402802	0.88	NPY2R (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30074524	0.88	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182922	0.88	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL11662997	0.88	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL11656995	0.88	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL11662240	0.88	CALCR (0.70)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30435977	0.88	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R

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