SCHEMBL31182762

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR1	P32241	3/20	0.62

▸	GLP1R	P43220	3/20	0.61

▸	CCKBR	P32239	1/20	0.61

▸	PTH1R	Q03431	4/20	0.61

▸	CALCR	P30988	3/20	0.59

▸	TFPI	P10646	1/20	0.59

▸	VIPR2	P41587	5/20	0.59

▸	ECE1	P42892	1/20	0.57

▸	MUS81	Q96NY9	1/20	0.57

▸	GCGR	P47871	1/20	0.57

▸	GIPR	P48546	1/20	0.57

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
SCHEMBL31182635	0.93	GLP1R (0.64)	VIPR1GLP1RCCKBRPTH1RTFPI
SCHEMBL30495613	0.92	VIPR1 (0.66)	VIPR1GLP1RCCKBRTFPIVIPR2
SCHEMBL31183000	0.92	PTH1R (0.63)	VIPR1GLP1RCCKBRPTH1RCALCR
SCHEMBL29523535	0.92	VIPR1 (0.69)	VIPR1GLP1RCCKBRPTH1RCALCR
SCHEMBL31167348	0.92	TFPI (0.60)	VIPR1GLP1RTFPIVIPR2ECE1
SCHEMBL30176471	0.92	VIPR2 (0.63)	VIPR1GLP1RCCKBRPTH1RTFPI
SCHEMBL29430211	0.91	VIPR1 (0.67)	VIPR1GLP1RCCKBRPTH1RCALCR
SCHEMBL30432639	0.91	TFPI (0.59)	VIPR1GLP1RCCKBRPTH1RCALCR
SCHEMBL30063022	0.91	TFPI (0.64)	VIPR1GLP1RTFPIVIPR2ECE1
SCHEMBL30618037	0.91	TFPI (0.61)	VIPR1GLP1RCCKBRCALCRTFPI

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