SCHEMBL31182543

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O

nearest known ligand 0.79

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.79

▸	CRHR1	P34998	1/20	0.73

▸	CRHR2	Q13324	1/20	0.73

▸	F2	P00734	4/20	0.65

▸	HCRTR1	O43613	1/20	0.63

▸	HCRTR2	O43614	1/20	0.63

▸	GLP1R	P43220	6/20	0.61

▸	GCGR	P47871	3/20	0.61

▸	CCKBR	P32239	2/20	0.60

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
SCHEMBL30932076	0.93	CALCR (0.82)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL29767110	0.93	CALCR (0.82)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL31182553	0.93	CALCR (0.79)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30658230	0.92	CALCR (0.79)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL31419713	0.91	CALCR (0.73)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30431904	0.90	CALCR (0.74)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL31182779	0.90	CALCR (0.83)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30712915	0.90	CALCR (0.69)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL31182659	0.90	CALCR (0.74)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL30176470	0.90	CALCR (0.73)	CALCRCRHR1CRHR2F2GLP1R

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