SCHEMBL29836530

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

nearest known ligand 0.56

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	9/20	0.56

▸	VIPR2	P41587	6/20	0.54

▸	VIPR1	P32241	4/20	0.53

▸	BACE2	Q9Y5Z0	2/20	0.52

▸	OPRD1	P41143	1/20	0.49

▸	CTSD	P07339	1/20	0.48

▸	CCKBR	P32239	1/20	0.48

▸	GLP1R	P43220	1/20	0.48

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
SCHEMBL30168788	0.97	BACE1 (0.56)	BACE1VIPR2VIPR1BACE2OPRD1
SCHEMBL29836547	0.96	BACE1 (0.61)	BACE1VIPR2VIPR1BACE2CCKBR
SCHEMBL29836275	0.96	BACE1 (0.55)	BACE1VIPR2VIPR1BACE2OPRD1
SCHEMBL29836415	0.96	BACE1 (0.62)	BACE1VIPR2VIPR1BACE2CCKBR
SCHEMBL30168697	0.94	BACE1 (0.61)	BACE1VIPR2VIPR1BACE2CCKBR
SCHEMBL30168763	0.93	BACE1 (0.55)	BACE1VIPR2VIPR1BACE2OPRD1
SCHEMBL30168756	0.93	BACE1 (0.62)	BACE1VIPR2VIPR1BACE2CCKBR
SCHEMBL29836299	0.93	VIPR2 (0.58)	BACE1VIPR2VIPR1CCKBRGLP1R
SCHEMBL29836456	0.92	VIPR1 (0.60)	BACE1VIPR2VIPR1CCKBRGLP1R
SCHEMBL29836388	0.91	VIPR2 (0.61)	BACE1VIPR2VIPR1CCKBRGLP1R

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-11434484-B2	Three-component CRISPR/Cas complex system and uses thereof	THE JACKSON LABORATORY (US)	2022-09-06	—	—	US	disclosed