SCHEMBL30450525

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.54

▸	IL23R	Q5VWK5	6/20	0.51

▸	NPY5R	Q15761	3/20	0.49

▸	NPY4R	P50391	3/20	0.49

▸	NPY1R	P25929	2/20	0.49

▸	EIF4E	P06730	1/20	0.48

▸	EIF4EBP1	Q13541	1/20	0.48

▸	OXTR	P30559	1/20	0.48

▸	F2	P00734	1/20	0.47

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
SCHEMBL30449877	0.96	IL23R (0.52)	TFPIIL23RNPY5RNPY4RNPY1R
SCHEMBL30712781	0.89	VIPR2 (0.54)	TFPIEIF4EEIF4EBP1
SCHEMBL30449988	0.89	MAPK8 (0.59)	TFPIIL23RNPY4REIF4EEIF4EBP1
SCHEMBL29679859	0.87	TFPI (0.56)	TFPINPY5RNPY4RNPY1R
SCHEMBL30512013	0.87	NPY4R (0.52)	TFPINPY5RNPY4RNPY1RF2
SCHEMBL29634728	0.84	TFPI (0.61)	TFPIIL23R
SCHEMBL30880894	0.83	TFPI (0.53)	TFPI
SCHEMBL30924731	0.83	NPY4R (0.57)	TFPIIL23RNPY5RNPY4RNPY1R
SCHEMBL30924745	0.83	NPY4R (0.57)	TFPIIL23RNPY5RNPY4RNPY1R
SCHEMBL30901633	0.83	TFPI (0.61)	TFPIIL23R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116987180-A	Methods and compositions for cancer diagnosis and treatment	生物技术欧洲股份公司	2023-11-03	—	—	CN	claimed
US-11673939-B2	Compositions and methods for diagnosis and treatment of cancer	BioNTech SE	2023-06-13	—	—	US	claimed
US-11673939-B2	Compositions and methods for diagnosis and treatment of cancer	BioNTech SE	2023-06-13	—	—	US	disclosed