SCHEMBL31182933

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.68

▸	HCRTR1	O43613	1/20	0.64

▸	HCRTR2	O43614	1/20	0.64

▸	KDM1A	O60341	2/20	0.59

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

▸	MAPK8	P45983	1/20	0.58

▸	MAPK9	P45984	1/20	0.58

▸	MAPK10	P53779	1/20	0.58

▸	CCKBR	P32239	2/20	0.58

▸	GLP1R	P43220	2/20	0.58

▸	NPY2R	P49146	4/20	0.58

▸	NPY4R	P50391	4/20	0.58

▸	NPY5R	Q15761	4/20	0.58

▸	NPY1R	P25929	3/20	0.58

▸	F2	P00734	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
SCHEMBL31182803	0.93	CALCR (0.71)	CALCRHCRTR1HCRTR2KDM1ACRHR1
SCHEMBL31683348	0.88	CALCR (0.69)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL30422726	0.87	CALCR (0.71)	CALCRHCRTR1HCRTR2KDM1ACRHR1
SCHEMBL31182677	0.86	CALCR (0.78)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL31000925	0.86	CALCR (0.76)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL31182574	0.86	CALCR (0.63)	CALCRHCRTR1HCRTR2KDM1AMAPK8
SCHEMBL30432477	0.86	CALCR (0.78)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL30945136	0.86	CALCR (0.69)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL30432045	0.86	CALCR (0.65)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL31182699	0.86	CALCR (0.70)	CALCRHCRTR1HCRTR2CRHR1CRHR2

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