SCHEMBL31182673

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	GRPR	P30550	2/20	0.60

▸	RXFP1	Q9HBX9	1/20	0.60

▸	IL23R	Q5VWK5	1/20	0.57

▸	PTH1R	Q03431	3/20	0.56

▸	KEAP1	Q14145	1/20	0.56

▸	GLP1R	P43220	5/20	0.55

▸	GCGR	P47871	3/20	0.55

▸	CTSL	P07711	2/20	0.55

▸	CTSS	P25774	2/20	0.55

▸	CTSK	P43235	2/20	0.55

▸	NPBWR1	P48145	1/20	0.54

▸	CTSH	P09668	1/20	0.54

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
SCHEMBL31462003	0.91	RXFP1 (0.69)	GRPRRXFP1PTH1RKEAP1GLP1R
SCHEMBL29883653	0.91	GRPR (0.62)	GRPRRXFP1PTH1RKEAP1GLP1R
SCHEMBL31000944	0.89	PTH1R (0.68)	GRPRRXFP1PTH1RKEAP1GLP1R
SCHEMBL31041075	0.88	PTH1R (0.67)	RXFP1PTH1RKEAP1GLP1RGCGR
SCHEMBL30811926	0.88	NPBWR1 (0.61)	RXFP1IL23RPTH1RGLP1RGCGR
SCHEMBL30495611	0.87	APLNR (0.53)	RXFP1PTH1RKEAP1GLP1R
SCHEMBL28100981	0.87	RXFP1 (0.63)	GRPRRXFP1IL23RPTH1RGLP1R
SCHEMBL31683360	0.87	C5AR1 (0.62)	IL23RKEAP1GLP1RGCGR
SCHEMBL31000904	0.86	GLP1R (0.69)	GLP1RGCGR
SCHEMBL38665419	0.86	PTH1R (0.67)	GRPRIL23RPTH1RKEAP1GLP1R

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