SCHEMBL30423734

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	NMT1	P30419	5/20	0.50

▸	NMT2	O60551	4/20	0.50

▸	GRIN2D	O15399	1/20	0.44

▸	GRIN3B	O60391	1/20	0.44

▸	GRIN1	Q05586	1/20	0.44

▸	GRIN2A	Q12879	1/20	0.44

▸	GRIN2B	Q13224	1/20	0.44

▸	GRIN2C	Q14957	1/20	0.44

▸	GRIN3A	Q8TCU5	1/20	0.44

▸	TFPI	P10646	1/20	0.43

▸	OPRM1	P35372	2/20	0.42

▸	OPRD1	P41143	2/20	0.42

▸	OPRK1	P41145	1/20	0.42

▸	FURIN	P09958	2/20	0.41

▸	TLR2	O60603	1/20	0.41

▸	PRSS1	P07477	1/20	0.39

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
SCHEMBL29777893	0.90	RXFP1 (0.48)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30973983	0.89	NMT1 (0.49)	NMT1NMT2GRIN2DGRIN3BGRIN1
SCHEMBL30571135	0.89	TFPI (0.48)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29777781	0.87	RAMP3 (0.47)	NMT1NMT2TFPIOPRM1OPRD1
SCHEMBL29769744	0.87	NMT1 (0.54)	NMT1NMT2GRIN2DGRIN3BGRIN1
SCHEMBL1370314	0.86	FOLH1 (0.51)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1370322	0.86	FOLH1 (0.51)	GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29777807	0.86	TFPI (0.49)	NMT1NMT2GRIN2DGRIN3BGRIN1
SCHEMBL29777719	0.86	TFPI (0.49)	NMT1NMT2GRIN2DGRIN3BGRIN1
SCHEMBL29777713	0.86	TFPI (0.49)	NMT1NMT2GRIN2DGRIN3BGRIN1

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
CN-116059393-A	IgG4FC fragments comprising modified hinge regions	韩美药品株式会社	2023-05-05	—	—	CN	disclosed