SCHEMBL31504570

C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.67

▸	IL23R	Q5VWK5	7/20	0.62

▸	OPRL1	P41146	3/20	0.57

▸	KEAP1	Q14145	1/20	0.56

▸	OPRM1	P35372	1/20	0.56

▸	OPRD1	P41143	1/20	0.56

▸	OPRK1	P41145	1/20	0.56

▸	KISS1R	Q969F8	1/20	0.55

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
SCHEMBL22807671	0.97	TFPI (0.64)	TFPIIL23ROPRL1KEAP1
SCHEMBL29372983	0.97	TFPI (0.64)	TFPIIL23ROPRL1KEAP1
SCHEMBL29426546	0.94	TFPI (0.62)	TFPIIL23R
SCHEMBL29418231	0.94	TFPI (0.62)	TFPIIL23R
SCHEMBL30973957	0.94	TFPI (0.64)	TFPIIL23ROPRL1KEAP1
SCHEMBL31031575	0.94	TFPI (0.64)	TFPIIL23ROPRL1KEAP1
SCHEMBL30414074	0.94	TFPI (0.60)	TFPIIL23RKEAP1
SCHEMBL30577892	0.94	IL23R (0.62)	TFPIIL23R
SCHEMBL30414545	0.94	TFPI (0.60)	TFPIIL23ROPRM1OPRD1OPRK1
SCHEMBL30413829	0.93	TFPI (0.60)	TFPIIL23ROPRL1OPRM1OPRD1

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-119947759-A	Site-specific modification of BBB-shuttling agents through antibody-based entities for crossing the blood brain barrier	盖特2布莱恩有限责任公司	2025-05-06	—	—	CN	disclosed