SCHEMBL30599009

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

nearest known ligand 0.55

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	9/20	0.55

▸	BACE1	P56817	1/20	0.52

▸	RXFP1	Q9HBX9	1/20	0.50

▸	VIPR1	P32241	4/20	0.48

▸	VIPR2	P41587	5/20	0.48

▸	GLP1R	P43220	1/20	0.48

▸	GCGR	P47871	1/20	0.48

▸	GIPR	P48546	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
SCHEMBL30136460	0.95	PTH1R (0.50)	PTH1RBACE1RXFP1VIPR1VIPR2
SCHEMBL30159324	0.92	BACE1 (0.56)	PTH1RBACE1RXFP1VIPR1VIPR2
SCHEMBL30432446	0.91	VIPR1 (0.57)	PTH1RBACE1RXFP1VIPR1VIPR2
SCHEMBL30449891	0.91	PTH1R (0.54)	PTH1RBACE1RXFP1VIPR1VIPR2
SCHEMBL30712785	0.90	PTH1R (0.52)	PTH1RBACE1RXFP1VIPR1VIPR2
SCHEMBL30512545	0.89	PTH1R (0.49)	PTH1RRXFP1VIPR1VIPR2
SCHEMBL31019331	0.89	VIPR1 (0.53)	PTH1RRXFP1VIPR1VIPR2GLP1R
SCHEMBL30320573	0.89	VIPR2 (0.53)	BACE1RXFP1VIPR1VIPR2
SCHEMBL30159280	0.88	BACE1 (0.54)	PTH1RBACE1RXFP1VIPR1GLP1R
SCHEMBL30512550	0.88	VIPR2 (0.48)	RXFP1VIPR1VIPR2

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-113929748-B	Kit for detecting BACE1 enzyme activity and application thereof	中国科学技术大学	2023-10-20	—	—	CN	disclosed