SCHEMBL31182600

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)CC

nearest known ligand 0.67

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	5/20	0.67

▸	NPY4R	P50391	5/20	0.67

▸	NPY5R	Q15761	5/20	0.67

▸	NPY1R	P25929	4/20	0.67

▸	CXCR4	P61073	4/20	0.60

▸	GLP1R	P43220	4/20	0.60

▸	KISS1R	Q969F8	3/20	0.59

▸	IL23R	Q5VWK5	1/20	0.59

▸	EP300	Q09472	1/20	0.58

▸	HIF1A	Q16665	1/20	0.58

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
SCHEMBL30607471	0.92	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30433133	0.92	NPY1R (0.64)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31182590	0.91	GLP1R (0.68)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31182503	0.90	NPY2R (0.72)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29949399	0.90	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30646309	0.90	CXCR4 (0.71)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29416046	0.90	CXCR4 (0.71)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30423542	0.90	NPY1R (0.66)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30658240	0.90	NPY2R (0.74)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30431371	0.89	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RCXCR4

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