SCHEMBL31182818

CSCC[C@H](NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.63

▸	GLP1R	P43220	12/20	0.61

▸	SCTR	P47872	1/20	0.61

▸	GCGR	P47871	4/20	0.58

▸	GIPR	P48546	1/20	0.58

▸	IL23R	Q5VWK5	1/20	0.58

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
SCHEMBL31127551	0.93	CALCR (0.67)	CALCRGLP1RSCTRGCGR
SCHEMBL30658382	0.92	CALCR (0.67)	CALCRGLP1R
SCHEMBL31182541	0.91	GLP1R (0.66)	CALCRGLP1RSCTRGCGR
SCHEMBL30658252	0.90	CALCR (0.71)	CALCRGLP1RSCTR
SCHEMBL31182575	0.90	TFPI (0.63)	CALCRGLP1RSCTRGCGRGIPR
SCHEMBL31139948	0.90	GLP1R (0.66)	GLP1RSCTRGCGRGIPR
SCHEMBL30658293	0.90	CALCR (0.65)	CALCRGLP1R
SCHEMBL30906356	0.90	GLP1R (0.60)	CALCRGLP1RSCTR
SCHEMBL30432505	0.90	GLP1R (0.66)	CALCRGLP1RSCTR
SCHEMBL30658202	0.90	CALCR (0.64)	CALCRGLP1R

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