SCHEMBL31182490

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	CALCR	P30988	5/20	0.62

▸	HCRTR1	O43613	1/20	0.58

▸	HCRTR2	O43614	1/20	0.58

▸	RAMP1	O60894	1/20	0.57

▸	RAMP2	O60895	1/20	0.57

▸	RAMP3	O60896	1/20	0.57

▸	CALCRL	Q16602	1/20	0.57

▸	CCKBR	P32239	2/20	0.56

▸	GLP1R	P43220	2/20	0.56

▸	NPY2R	P49146	7/20	0.54

▸	NPY4R	P50391	7/20	0.54

▸	NPY5R	Q15761	7/20	0.54

▸	NPY1R	P25929	5/20	0.54

▸	MC4R	P32245	1/20	0.53

▸	F2	P00734	2/20	0.53

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
SCHEMBL30906452	0.90	CALCR (0.67)	CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL29903339	0.89	CALCR (0.58)	CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL30432803	0.89	CALCR (0.64)	CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL30679464	0.88	CALCR (0.63)	CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL29620320	0.87	CALCR (0.60)	CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL31683370	0.87	CALCR (0.70)	CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL30495820	0.87	CALCR (0.69)	CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL30431873	0.86	CALCR (0.70)	CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL31182944	0.86	CALCR (0.60)	CALCRHCRTR1HCRTR2RAMP3CCKBR
SCHEMBL30495705	0.86	CALCR (0.69)	CRHR1CRHR2CALCRHCRTR1HCRTR2

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