SCHEMBL31182445

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

nearest known ligand 0.80

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.68

▸	NPY4R	P50391	8/20	0.68

▸	NPY5R	Q15761	8/20	0.68

▸	NPY1R	P25929	6/20	0.68

▸	CALCR	P30988	5/20	0.66

▸	EP300	Q09472	1/20	0.64

▸	HIF1A	Q16665	1/20	0.64

▸	TFPI	P10646	3/20	0.64

▸	VIPR1	P32241	1/20	0.62

▸	RAMP3	O60896	1/20	0.62

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
SCHEMBL30607334	0.93	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30400505	0.92	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182683	0.92	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31230205	0.91	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658322	0.91	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182907	0.91	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30648463	0.91	EP300 (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182841	0.91	TFPI (0.66)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30433571	0.91	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182450	0.90	NPY2R (0.66)	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