SCHEMBL30495805

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

nearest known ligand 0.43

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.43

▸	QRFPR	Q96P65	1/20	0.42

▸	OPRL1	P41146	2/20	0.40

▸	IL23R	Q5VWK5	2/20	0.38

▸	NMT2	O60551	2/20	0.38

▸	NMT1	P30419	2/20	0.38

▸	GRIN2D	O15399	1/20	0.37

▸	GRIN3B	O60391	1/20	0.37

▸	GRIN1	Q05586	1/20	0.37

▸	GRIN2A	Q12879	1/20	0.37

▸	GRIN2B	Q13224	1/20	0.37

▸	GRIN2C	Q14957	1/20	0.37

▸	GRIN3A	Q8TCU5	1/20	0.37

▸	KEAP1	Q14145	1/20	0.36

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
SCHEMBL29591757	0.93	QRFPR (0.44)	TFPIQRFPROPRL1IL23RNMT2
SCHEMBL30620967	0.90	NMT1 (0.46)	TFPIQRFPROPRL1NMT2NMT1
SCHEMBL31430114	0.90	TFPI (0.41)	TFPIQRFPROPRL1IL23RKEAP1
SCHEMBL29590856	0.90	QRFPR (0.49)	TFPIQRFPROPRL1NMT2NMT1
SCHEMBL31480014	0.90	QRFPR (0.49)	TFPIQRFPROPRL1NMT2NMT1
SCHEMBL31338673	0.88	TFPI (0.41)	TFPIQRFPRIL23RKEAP1
SCHEMBL17440322	0.88	QRFPR (0.42)	TFPIQRFPROPRL1NMT2NMT1
SCHEMBL13319653	0.88	QRFPR (0.42)	TFPIQRFPROPRL1NMT2NMT1
SCHEMBL21961850	0.88	ITGB3 (0.40)	TFPIQRFPROPRL1IL23RKEAP1
SCHEMBL29630595	0.88	NMT1 (0.44)	QRFPRNMT2NMT1

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-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed