SCHEMBL31182989

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.67

▸	NPY2R	P49146	1/20	0.67

▸	NPY4R	P50391	1/20	0.67

▸	NPY5R	Q15761	1/20	0.67

▸	CALCR	P30988	3/20	0.64

▸	GLP1R	P43220	11/20	0.63

▸	CXCL8	P10145	3/20	0.63

▸	GIPR	P48546	6/20	0.62

▸	GCGR	P47871	3/20	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
SCHEMBL31182795	0.93	CXCL8 (0.63)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL30658334	0.92	CALCR (0.65)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL31182988	0.90	NPY2R (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL11660011	0.89	CALCR (0.72)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL29679866	0.89	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL29429584	0.89	NPY1R (0.73)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29598077	0.89	NPY2R (0.75)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658322	0.89	NPY2R (0.68)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL11660133	0.89	CALCR (0.73)	NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL30932069	0.89	GLP1R (0.74)	NPY1RNPY2RNPY4RNPY5RCALCR

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