SCHEMBL30862310

CN[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@H](C(=O)NCC(=O)O)C(C)(C)C)C(C)C)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	9/20	0.58

▸	KDM1A	O60341	3/20	0.56

▸	MAOB	P27338	1/20	0.52

▸	KDM5A	P29375	1/20	0.52

▸	KDM1B	Q8NB78	1/20	0.52

▸	NPY2R	P49146	5/20	0.52

▸	NPY4R	P50391	5/20	0.52

▸	NPY5R	Q15761	5/20	0.52

▸	NPY1R	P25929	4/20	0.52

▸	EPHA2	P29317	2/20	0.51

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
SCHEMBL30199915	0.97	TFPI (0.59)	TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL29598364	0.92	TFPI (0.59)	TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL31222180	0.89	TFPI (0.61)	TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL29652676	0.88	TFPI (0.61)	TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL31182850	0.84	TFPI (0.63)	TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL30432093	0.83	NPY2R (0.62)	TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL31182597	0.82	KEAP1 (0.63)	TFPIKDM1ANPY2RNPY4RNPY5R
SCHEMBL30429119	0.82	NPY2R (0.67)	TFPIKDM1ANPY2RNPY4RNPY5R
SCHEMBL30804666	0.82	NPY2R (0.64)	TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL30358165	0.81	KDM1A (0.61)	TFPIKDM1AMAOBKDM5AKDM1B

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-20240124552-A1	METHODS AND COMPOSITIONS FOR GENERATING AN IMMUNE RESPONSE BY INDUCING CD40 AND PATTERN RECOGNITION RECEPTOR ADAPTERS	BAYLOR COLLEGE OF MEDICINE	2024-04-18	—	—	US	disclosed