SCHEMBL31182749

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

nearest known ligand 0.73

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.61

▸	NPY4R	P50391	8/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY1R	P25929	6/20	0.61

▸	KDM1A	O60341	2/20	0.59

▸	CALCR	P30988	3/20	0.59

▸	TFPI	P10646	2/20	0.57

▸	KEAP1	Q14145	1/20	0.57

▸	GLP1R	P43220	1/20	0.56

▸	PTH1R	Q03431	1/20	0.56

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
SCHEMBL30495827	0.91	KDM1A (0.61)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31182691	0.90	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL29479811	0.90	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30567713	0.90	NPY2R (0.57)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182717	0.90	CALCR (0.68)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29903341	0.90	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30338084	0.90	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30571140	0.90	NPY2R (0.55)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30658336	0.89	KEAP1 (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432080	0.89	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR

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