SCHEMBL29487598

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR2	P41587	7/20	0.62

▸	VIPR1	P32241	5/20	0.61

▸	BACE1	P56817	8/20	0.57

▸	TFPI	P10646	1/20	0.55

▸	PTH1R	Q03431	1/20	0.55

▸	BACE2	Q9Y5Z0	2/20	0.55

▸	CTSD	P07339	1/20	0.55

▸	MDM4	O15151	1/20	0.54

▸	MDM2	Q00987	1/20	0.54

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
SCHEMBL29487597	0.97	VIPR2 (0.63)	VIPR2VIPR1BACE1TFPIPTH1R
SCHEMBL31005900	0.96	BACE1 (0.59)	VIPR2VIPR1BACE1BACE2CTSD
SCHEMBL30512567	0.93	VIPR1 (0.60)	VIPR2VIPR1BACE1TFPIPTH1R
SCHEMBL30512539	0.92	VIPR2 (0.58)	VIPR2VIPR1BACE1BACE2CTSD
Skekigkefkrivqrikdflr SCHEMBL30338004	0.92	PTH1R (0.64)	VIPR2VIPR1TFPIPTH1R
SCHEMBL29679948	0.92	VIPR1 (0.58)	VIPR2VIPR1BACE1TFPIPTH1R
SCHEMBL9843134	0.91	VIPR2 (0.56)	VIPR2VIPR1BACE1MDM4MDM2
SCHEMBL9843124	0.91	VIPR2 (0.56)	VIPR2VIPR1BACE1MDM4MDM2
SCHEMBL29453332	0.91	VIPR2 (0.62)	VIPR2VIPR1BACE1TFPIBACE2
SCHEMBL29679619	0.91	VIPR1 (0.63)	VIPR2VIPR1BACE1TFPIPTH1R

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-114181293-B	Humanized antibacterial peptide LL-37 modified body and application thereof	郑州大学	2023-09-22	—	—	CN	disclosed
CN-114181293-A	Humanized antibacterial peptide LL-37 modified body and application thereof	郑州大学	2022-03-15	—	—	CN	disclosed