SCHEMBL31182740

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	6/20	0.72

▸	NPY4R	P50391	6/20	0.72

▸	NPY5R	Q15761	6/20	0.72

▸	NPY1R	P25929	5/20	0.72

▸	C5AR1	P21730	1/20	0.68

▸	CALCR	P30988	4/20	0.66

▸	GLP1R	P43220	6/20	0.66

▸	CXCR4	P61073	2/20	0.66

▸	CCKBR	P32239	2/20	0.65

▸	GCGR	P47871	3/20	0.64

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
SCHEMBL30658340	0.94	NPY2R (0.74)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658220	0.93	GLP1R (0.72)	NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL31182507	0.93	NPY1R (0.72)	NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL30721563	0.93	NPY1R (0.73)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182875	0.92	NPY1R (0.69)	NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL29991271	0.92	GLP1R (0.73)	NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL29509179	0.92	CALCR (0.74)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30771981	0.92	CALCR (0.77)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30437189	0.91	CALCR (0.74)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30159330	0.91	CALCR (0.73)	NPY2RNPY4RNPY5RNPY1RCALCR

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