SCHEMBL31182525

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)[C@@H](C)O)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	3/20	0.67

▸	NPY4R	P50391	3/20	0.67

▸	NPY5R	Q15761	3/20	0.67

▸	NPY1R	P25929	2/20	0.67

▸	KEAP1	Q14145	1/20	0.62

▸	GLP1R	P43220	5/20	0.62

▸	CXCR4	P61073	1/20	0.62

▸	PTH1R	Q03431	6/20	0.61

▸	EED	O75530	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
SCHEMBL31182815	0.92	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RKEAP1
SCHEMBL30176440	0.92	NPY1R (0.64)	NPY2RNPY4RNPY5RNPY1RKEAP1
SCHEMBL31182544	0.92	NPY1R (0.69)	NPY2RNPY4RNPY5RNPY1RKEAP1
SCHEMBL31182720	0.91	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RKEAP1
SCHEMBL31182745	0.91	NPY1R (0.71)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30495825	0.91	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31182571	0.90	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL29444962	0.90	KEAP1 (0.69)	NPY2RNPY4RNPY5RNPY1RKEAP1
SCHEMBL30804660	0.90	CXCR4 (0.64)	NPY2RNPY4RNPY5RNPY1RKEAP1
SCHEMBL30658244	0.89	NPY2R (0.76)	NPY2RNPY4RNPY5RNPY1RGLP1R

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