SCHEMBL31182559

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

nearest known ligand 0.71

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	10/20	0.69

▸	NPY1R	P25929	10/20	0.69

▸	NPY4R	P50391	8/20	0.69

▸	NPY5R	Q15761	8/20	0.69

▸	CALCR	P30988	4/20	0.66

▸	EP300	Q09472	1/20	0.63

▸	HIF1A	Q16665	1/20	0.63

▸	MAPK8	P45983	1/20	0.62

▸	MAPK9	P45984	1/20	0.62

▸	MAPK10	P53779	1/20	0.62

▸	TFPI	P10646	1/20	0.61

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
SCHEMBL30658249	0.92	NPY2R (0.71)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL31182994	0.91	NPY2R (0.68)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL29562124	0.91	NPY2R (0.67)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30658298	0.90	NPY2R (0.71)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30335722	0.90	TFPI (0.64)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL29903384	0.90	NPY2R (0.66)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL31182639	0.89	NPY2R (0.66)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL31182912	0.89	NPY2R (0.66)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30906494	0.89	NPY2R (0.62)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30495647	0.89	NPY2R (0.77)	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