SCHEMBL31182605

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(C)C)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	8/20	0.68

▸	NR3C1	P04150	3/20	0.65

▸	IL23R	Q5VWK5	9/20	0.64

▸	CCKBR	P32239	1/20	0.62

▸	ECE1	P42892	1/20	0.62

▸	MUS81	Q96NY9	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
SCHEMBL30432538	0.94	GLP1R (0.68)	GLP1RNR3C1IL23RECE1MUS81
SCHEMBL29943233	0.91	GLP1R (0.79)	GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL30874399	0.91	GLP1R (0.75)	GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL30567691	0.91	IL23R (0.70)	GLP1RNR3C1IL23RECE1MUS81
SCHEMBL31656511	0.91	IL23R (0.70)	GLP1RNR3C1IL23RECE1MUS81
SCHEMBL31099254	0.90	GLP1R (0.78)	GLP1RNR3C1CCKBRECE1MUS81
SCHEMBL30567781	0.90	GLP1R (0.66)	GLP1R
SCHEMBL30874390	0.90	TFPI (0.63)	GLP1RNR3C1ECE1MUS81
SCHEMBL31182763	0.89	GLP1R (0.70)	GLP1RCCKBRECE1MUS81
SCHEMBL30607360	0.89	GLP1R (0.63)	GLP1RIL23R

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