SCHEMBL31182595

CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	3/20	0.68

▸	GCGR	P47871	1/20	0.68

▸	GIPR	P48546	1/20	0.68

▸	VIPR1	P32241	5/20	0.65

▸	TFPI	P10646	1/20	0.63

▸	VIPR2	P41587	7/20	0.62

▸	CCKBR	P32239	1/20	0.59

▸	NR3C1	P04150	2/20	0.58

▸	ECE1	P42892	1/20	0.58

▸	MUS81	Q96NY9	1/20	0.58

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
SCHEMBL27043239	0.94	TFPI (0.68)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL29416557	0.94	TFPI (0.68)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL29939512	0.94	GLP1R (0.65)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL32670624	0.93	BACE1 (0.61)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL29453341	0.92	VIPR1 (0.72)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL29357155	0.92	GLP1R (0.64)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL30432341	0.92	GLP1R (0.63)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL29563482	0.92	GLP1R (0.66)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL30038758	0.92	VIPR1 (0.63)	GLP1RGCGRGIPRVIPR1TFPI
SCHEMBL30176435	0.91	VIPR1 (0.69)	GLP1RGCGRGIPRVIPR1TFPI

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