SCHEMBL31182447

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.73

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	8/20	0.73

▸	KEAP1	Q14145	2/20	0.68

▸	GLP1R	P43220	8/20	0.68

▸	CCKBR	P32239	1/20	0.67

▸	RXFP1	Q9HBX9	1/20	0.66

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
SCHEMBL30255063	0.95	PTH1R (0.80)	PTH1RKEAP1GLP1RCCKBRRXFP1
Teriparatide SCHEMBL30645329	0.95	PTH1R (0.80)	PTH1RKEAP1GLP1RCCKBRRXFP1
Teriparatide SCHEMBL29394193	0.95	PTH1R (0.80)	PTH1RKEAP1GLP1RCCKBRRXFP1
SCHEMBL28980125	0.95	PTH1R (0.80)	PTH1RKEAP1GLP1RCCKBRRXFP1
Teriparatide SCHEMBL30448707	0.95	PTH1R (0.80)	PTH1RKEAP1GLP1RCCKBRRXFP1
SCHEMBL30448747	0.94	PTH1R (0.75)	PTH1RKEAP1GLP1RCCKBRRXFP1
SCHEMBL31473045	0.94	PTH1R (0.73)	PTH1RKEAP1GLP1RCCKBRRXFP1
SCHEMBL30657454	0.94	GLP1R (0.75)	PTH1RGLP1RCCKBR
SCHEMBL31099253	0.93	GLP1R (0.76)	PTH1RGLP1RCCKBR
SCHEMBL30658365	0.93	PTH1R (0.69)	PTH1RKEAP1GLP1RCCKBRRXFP1

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