SCHEMBL31182802

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.66

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.66

▸	GLP1R	P43220	14/20	0.66

▸	GCGR	P47871	9/20	0.66

▸	GIPR	P48546	6/20	0.66

▸	C5AR1	P21730	1/20	0.63

▸	CTSL	P07711	3/20	0.62

▸	CTSS	P25774	3/20	0.62

▸	CTSK	P43235	3/20	0.62

▸	CTSH	P09668	1/20	0.62

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
SCHEMBL30724494	0.90	C5AR1 (0.74)	KEAP1GLP1RGCGRC5AR1
SCHEMBL30717268	0.89	C5AR1 (0.65)	KEAP1GLP1RGCGRGIPRC5AR1
SCHEMBL31544061	0.89	C5AR1 (0.73)	KEAP1GLP1RGCGRGIPRC5AR1
SCHEMBL30262010	0.89	CTSL (0.64)	KEAP1GLP1RGCGRGIPRC5AR1
SCHEMBL30658208	0.89	GLP1R (0.72)	KEAP1GLP1RGCGRGIPR
SCHEMBL30894433	0.88	APLNR (0.60)	KEAP1GLP1RGCGRGIPRC5AR1
SCHEMBL30466127	0.88	GLP1R (0.69)	KEAP1GLP1RGCGRGIPR
SCHEMBL30495625	0.88	CXCR4 (0.67)	GLP1RGCGRGIPR
SCHEMBL30578713	0.88	C5AR1 (0.73)	KEAP1GLP1RGCGRGIPRC5AR1
SCHEMBL30432050	0.88	KEAP1 (0.68)	KEAP1GLP1RGCGRGIPRC5AR1

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