SCHEMBL31182510

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.65

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

▸	GLP1R	P43220	7/20	0.62

▸	GCGR	P47871	6/20	0.62

▸	CTSL	P07711	2/20	0.60

▸	CTSS	P25774	2/20	0.60

▸	CTSK	P43235	2/20	0.60

▸	CTSH	P09668	1/20	0.60

▸	NMBR	P28336	2/20	0.60

▸	GRPR	P30550	2/20	0.60

▸	CXCR4	P61073	4/20	0.60

▸	KEAP1	Q14145	1/20	0.59

▸	GIPR	P48546	3/20	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
SCHEMBL31182539	0.92	NPY1R (0.68)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30429341	0.91	GLP1R (0.68)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30631666	0.91	CTSL (0.62)	C5AR1GLP1RGCGRCTSLCTSS
SCHEMBL38663455	0.90	C5AR1 (0.63)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658250	0.90	GLP1R (0.69)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30495787	0.90	C5AR1 (0.66)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30862322	0.90	C5AR1 (0.68)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29638062	0.89	GLP1R (0.74)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182660	0.89	NPY1R (0.70)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182680	0.89	GLP1R (0.74)	C5AR1NPY1RNPY2RNPY4RNPY5R

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