SCHEMBL31182575

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

nearest known ligand 0.63

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.63

▸	CALCR	P30988	3/20	0.61

▸	GLP1R	P43220	11/20	0.58

▸	SCTR	P47872	1/20	0.58

▸	GCGR	P47871	4/20	0.57

▸	GIPR	P48546	1/20	0.57

▸	CCKBR	P32239	1/20	0.56

▸	GRPR	P30550	1/20	0.55

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	0.92	CALCR (0.67)	TFPICALCRGLP1RSCTRGCGR
SCHEMBL31307236	0.91	TFPI (0.57)	TFPICALCRGLP1RSCTRGCGR
SCHEMBL31461903	0.90	CALCR (0.61)	TFPICALCRGLP1RSCTRGCGR
SCHEMBL31182818	0.90	CALCR (0.63)	CALCRGLP1RSCTRGCGRGIPR
SCHEMBL31182620	0.90	GLP1R (0.64)	CALCRGLP1RSCTR
SCHEMBL30567739	0.90	TFPI (0.56)	TFPICALCRGLP1RSCTRGCGR
SCHEMBL31612640	0.89	CALCR (0.66)	CALCRGLP1RCCKBR
SCHEMBL29416070	0.89	APLNR (0.59)	CALCRGLP1RGCGRGIPRCCKBR
SCHEMBL30495588	0.89	CALCR (0.64)	CALCRGLP1RCCKBR
SCHEMBL31182560	0.89	CALCR (0.64)	TFPICALCRGLP1RCCKBR

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