SCHEMBL30433903

CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	2/20	0.47

▸	BACE1	P56817	1/20	0.42

▸	BACE2	Q9Y5Z0	1/20	0.42

▸	EGFR	P00533	1/20	0.41

▸	TFPI	P10646	1/20	0.41

▸	OPRM1	P35372	6/20	0.40

▸	OPRK1	P41145	6/20	0.40

▸	NPBWR1	P48145	1/20	0.40

▸	FURIN	P09958	1/20	0.40

▸	ESR1	P03372	1/20	0.39

▸	CCNA2	P20248	2/20	0.39

▸	CDK2	P24941	2/20	0.39

▸	CCNA1	P78396	2/20	0.39

▸	CRHR1	P34998	1/20	0.39

▸	CRHR2	Q13324	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
SCHEMBL30462089	0.87	PTPN1 (0.44)	PTPN1BACE1BACE2EGFROPRK1
SCHEMBL30462069	0.87	EGFR (0.46)	PTPN1BACE1BACE2EGFRCCNA2
SCHEMBL31746072	0.86	PTPN1 (0.49)	PTPN1BACE1BACE2
SCHEMBL30632040	0.85	FURIN (0.40)	BACE1FURIN
SCHEMBL30930088	0.85	FURIN (0.46)	BACE1BACE2TFPIOPRM1OPRK1
SCHEMBL31472847	0.84	ERAP2 (0.43)	PTPN1BACE1BACE2EGFROPRK1
SCHEMBL31472846	0.84	ERAP2 (0.43)	PTPN1BACE1BACE2EGFROPRK1
SCHEMBL30637762	0.83	NPY4R (0.45)	BACE1BACE2EGFROPRK1
SCHEMBL31472853	0.83	NPY4R (0.47)	BACE1BACE2EGFROPRK1
SCHEMBL30905999	0.83	NPY4R (0.51)	EGFR

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-113402465-B	Preparation method of N-9-fluorenylmethoxycarbonyl-N' -trityl-L-histidine	常州吉恩药业有限公司	2023-05-05	—	—	CN	disclosed