SCHEMBL31182972

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

nearest known ligand 0.72

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	10/20	0.70

▸	NPY1R	P25929	10/20	0.70

▸	NPY4R	P50391	8/20	0.70

▸	NPY5R	Q15761	8/20	0.70

▸	CALCR	P30988	3/20	0.64

▸	RAMP3	O60896	1/20	0.64

▸	EP300	Q09472	1/20	0.61

▸	HIF1A	Q16665	1/20	0.61

▸	TFPI	P10646	1/20	0.60

▸	GLP1R	P43220	1/20	0.59

▸	GCGR	P47871	1/20	0.59

▸	GIPR	P48546	1/20	0.59

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
SCHEMBL30262086	0.93	NPY2R (0.69)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30176445	0.91	NPY2R (0.67)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30495779	0.90	NPY2R (0.65)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL29854478	0.90	NPY2R (0.70)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30658303	0.90	NPY2R (0.68)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL9717732	0.90	NPY2R (0.68)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30432747	0.90	CALCR (0.70)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30432021	0.90	NPY2R (0.68)	NPY2RNPY1RNPY4RNPY5REP300
SCHEMBL30277961	0.90	NPY2R (0.69)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL31182994	0.90	NPY2R (0.68)	NPY2RNPY1RNPY4RNPY5RCALCR

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