SCHEMBL31182573

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

nearest known ligand 0.69

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.66

▸	KEAP1	Q14145	1/20	0.62

▸	CCKBR	P32239	2/20	0.57

▸	GLP1R	P43220	2/20	0.57

▸	CRHR1	P34998	1/20	0.57

▸	CRHR2	Q13324	1/20	0.57

▸	NPY2R	P49146	5/20	0.57

▸	NPY4R	P50391	5/20	0.57

▸	NPY5R	Q15761	5/20	0.57

▸	NPY1R	P25929	3/20	0.57

▸	HCRTR1	O43613	1/20	0.57

▸	HCRTR2	O43614	1/20	0.57

▸	F2	P00734	1/20	0.57

▸	CXCR4	P61073	1/20	0.56

▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	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
SCHEMBL30576913	0.93	CALCR (0.65)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30567778	0.92	CALCR (0.66)	CALCRCCKBRGLP1RNPY2RNPY4R
SCHEMBL31182911	0.91	CALCR (0.65)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30567772	0.91	CALCR (0.74)	CALCRCCKBRGLP1RCRHR1CRHR2
Cathelicidin SCHEMBL29350781	0.91	NPY2R (0.65)	CALCRKEAP1NPY2RNPY4RNPY5R
SCHEMBL29868039	0.90	CALCR (0.70)	CALCRCCKBRGLP1RCRHR1CRHR2
SCHEMBL31182439	0.90	CALCR (0.63)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30658227	0.90	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31336977	0.90	TFPI (0.64)	CALCRKEAP1NPY2RNPY4RNPY5R
SCHEMBL30887977	0.90	CALCR (0.64)	CALCRKEAP1GLP1RCRHR1CRHR2

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