SCHEMBL30176488

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	4/20	0.62

▸	BACE2	Q9Y5Z0	2/20	0.58

▸	VIPR1	P32241	3/20	0.56

▸	VIPR2	P41587	5/20	0.55

▸	GLP1R	P43220	2/20	0.54

▸	GCGR	P47871	1/20	0.54

▸	GIPR	P48546	1/20	0.54

▸	KISS1R	Q969F8	2/20	0.53

▸	ECE1	P42892	1/20	0.53

▸	MUS81	Q96NY9	1/20	0.53

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
SCHEMBL30903279	0.90	BACE1 (0.62)	BACE1VIPR1VIPR2GLP1RGCGR
SCHEMBL29699573	0.90	BACE1 (0.64)	BACE1BACE2
SCHEMBL31514376	0.89	BACE1 (0.65)	BACE1BACE2VIPR1VIPR2
SCHEMBL30176451	0.89	VIPR1 (0.66)	BACE1BACE2VIPR1VIPR2GLP1R
SCHEMBL31683306	0.88	GLP1R (0.57)	BACE1BACE2VIPR1VIPR2GLP1R
SCHEMBL29461536	0.88	BACE1 (0.62)	BACE1VIPR1VIPR2KISS1R
SCHEMBL30437477	0.87	BACE1 (0.67)	BACE1BACE2
SCHEMBL29438037	0.87	BACE1 (0.60)	BACE1BACE2VIPR1VIPR2GLP1R
SCHEMBL30501948	0.87	BACE1 (0.57)	BACE1BACE2KISS1R
SCHEMBL31182757	0.87	VIPR1 (0.64)	BACE1BACE2VIPR1VIPR2GLP1R

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
US-20230272394-A1	RNA-DIRECTED DNA CLEAVAGE BY THE Cas9-crRNA COMPLEX	VILNIUS UNIVERSITY (LT)	2023-08-31	—	—	US	disclosed
US-11555187-B2	RNA-directed DNA cleavage by the Cas9-crRNA complex	VILNIUS UNIVERSITY (LT)	2023-01-17	—	—	US	disclosed