SCHEMBL31182954

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	2/20	0.67

▸	NPY1R	P25929	1/20	0.66

▸	NPY2R	P49146	1/20	0.66

▸	NPY4R	P50391	1/20	0.66

▸	NPY5R	Q15761	1/20	0.66

▸	GLP1R	P43220	8/20	0.64

▸	CXCR4	P61073	2/20	0.60

▸	GCGR	P47871	3/20	0.60

▸	PTH1R	Q03431	5/20	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
SCHEMBL31182988	0.93	NPY2R (0.71)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31419719	0.92	NPY1R (0.62)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658259	0.91	NPY2R (0.70)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31694492	0.91	KEAP1 (0.70)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30495836	0.91	GLP1R (0.66)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182766	0.91	PTH1R (0.73)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30432221	0.91	IL23R (0.62)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30932069	0.90	GLP1R (0.74)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31183001	0.90	NPY1R (0.67)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182666	0.90	CXCR4 (0.68)	KEAP1NPY1RNPY2RNPY4RNPY5R

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