SCHEMBL31182453

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

nearest known ligand 0.65

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	RXFP1	Q9HBX9	6/20	0.65

▸	GRPR	P30550	2/20	0.60

▸	IL23R	Q5VWK5	5/20	0.58

▸	PTH1R	Q03431	3/20	0.57

▸	CXCR4	P61073	1/20	0.57

▸	GLP1R	P43220	2/20	0.56

▸	GCGR	P47871	1/20	0.56

▸	GIPR	P48546	1/20	0.56

▸	NPBWR1	P48145	1/20	0.56

▸	CCKBR	P32239	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
SCHEMBL30811926	0.91	NPBWR1 (0.61)	RXFP1IL23RPTH1RCXCR4GLP1R
SCHEMBL31174225	0.89	PTH1R (0.66)	RXFP1IL23RPTH1RGLP1RGCGR
SCHEMBL30658256	0.88	RXFP1 (0.69)	RXFP1GRPRPTH1RGLP1RGCGR
SCHEMBL29883653	0.88	GRPR (0.62)	RXFP1GRPRPTH1RCXCR4GLP1R
SCHEMBL29416201	0.87	PTH1R (0.64)	RXFP1GRPRIL23RPTH1RGLP1R
SCHEMBL31433282	0.87	IL23R (0.60)	RXFP1GRPRIL23RCXCR4GLP1R
SCHEMBL30906466	0.86	GLP1R (0.66)	IL23RGLP1RGCGRGIPRCCKBR
SCHEMBL30906442	0.86	GLP1R (0.66)	IL23RGLP1RGCGRGIPRCCKBR
SCHEMBL31182673	0.85	GRPR (0.60)	RXFP1GRPRIL23RPTH1RGLP1R
SCHEMBL31000950	0.85	IL23R (0.69)	IL23RGLP1RGCGRGIPR

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