SCHEMBL31182944

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	9/20	0.60

▸	GLP1R	P43220	7/20	0.59

▸	GCGR	P47871	5/20	0.59

▸	GIPR	P48546	5/20	0.59

▸	CCKBR	P32239	2/20	0.58

▸	RAMP3	O60896	5/20	0.57

▸	HCRTR1	O43613	1/20	0.57

▸	HCRTR2	O43614	1/20	0.57

▸	CXCR4	P61073	1/20	0.57

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
SCHEMBL30607365	0.90	GLP1R (0.59)	CALCRGLP1RGCGRGIPRRAMP3
SCHEMBL30432204	0.88	CALCR (0.57)	CALCRGLP1RGCGRRAMP3
SCHEMBL30436173	0.88	CALCR (0.59)	CALCRGLP1RGCGRGIPRRAMP3
SCHEMBL29742986	0.88	CALCR (0.59)	CALCRGLP1RGCGRGIPRRAMP3
SCHEMBL31000899	0.87	CALCR (0.69)	CALCRGLP1RGCGRGIPR
SCHEMBL31183027	0.87	CALCR (0.63)	CALCRGLP1RCCKBRRAMP3HCRTR1
SCHEMBL29430197	0.87	CALCR (0.70)	CALCRGLP1RGCGRGIPR
SCHEMBL31182457	0.87	CALCR (0.64)	CALCRGLP1RGCGRGIPRHCRTR1
SCHEMBL29649214	0.87	NPY2R (0.62)	CALCRRAMP3
SCHEMBL30299016	0.87	CALCR (0.69)	CALCRGLP1RGCGRGIPRCCKBR

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