SCHEMBL31182492

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	GRIN2D	O15399	1/20	0.49

▸	GRIN3B	O60391	1/20	0.49

▸	GRIN1	Q05586	1/20	0.49

▸	GRIN2A	Q12879	1/20	0.49

▸	GRIN2B	Q13224	1/20	0.49

▸	GRIN2C	Q14957	1/20	0.49

▸	GRIN3A	Q8TCU5	1/20	0.49

▸	ENPEP	Q07075	5/20	0.47

▸	TFPI	P10646	1/20	0.47

▸	PTH1R	Q03431	2/20	0.45

▸	RXFP1	Q9HBX9	2/20	0.44

▸	VIPR1	P32241	1/20	0.43

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
SCHEMBL30463853	0.89	GRIN2D (0.64)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29736322	0.88	TFPI (0.48)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31198201	0.87	ENPEP (0.52)	ENPEP
SCHEMBL30495691	0.87	TFPI (0.53)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29736417	0.87	TFPI (0.49)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31202698	0.87	GRIN2D (0.66)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29417385	0.87	PTH1R (0.54)	TFPIPTH1RVIPR1
SCHEMBL30296729	0.86	GRIN2D (0.61)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31307229	0.86	GLP1R (0.51)	TFPIPTH1RVIPR1
SCHEMBL31410830	0.86	GLP1R (0.50)	TFPIPTH1RVIPR1

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