SCHEMBL30296696

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.54

▸	CRHR1	P34998	1/20	0.54

▸	CRHR2	Q13324	1/20	0.54

▸	AGTR2	P50052	3/20	0.53

▸	AGTR1	P30556	2/20	0.53

▸	NTSR2	O95665	2/20	0.50

▸	NTSR1	P30989	2/20	0.50

▸	SORT1	Q99523	2/20	0.50

▸	OPRD1	P41143	1/20	0.49

▸	BACE1	P56817	1/20	0.49

▸	NPY2R	P49146	1/20	0.49

▸	NPY4R	P50391	1/20	0.49

▸	NPY5R	Q15761	1/20	0.49

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
SCHEMBL29489268	0.97	CRHR1 (0.56)	CALCRCRHR1CRHR2AGTR2AGTR1
SCHEMBL29501059	0.86	BACE1 (0.59)	CALCRCRHR1CRHR2AGTR2AGTR1
SCHEMBL30698075	0.86	AGTR2 (0.61)	AGTR2AGTR1NTSR2NTSR1SORT1
SCHEMBL30362923	0.85	BACE1 (0.58)	CALCRCRHR1CRHR2AGTR2AGTR1
SCHEMBL30363072	0.85	BACE1 (0.58)	CALCRCRHR1CRHR2AGTR2AGTR1
SCHEMBL29626845	0.85	BACE1 (0.58)	CALCRCRHR1CRHR2AGTR2AGTR1
SCHEMBL30761771	0.85	BACE1 (0.58)	CALCRCRHR1CRHR2AGTR2AGTR1
SCHEMBL30362943	0.85	BACE1 (0.58)	CALCRCRHR1CRHR2AGTR2AGTR1
SCHEMBL30362899	0.85	BACE1 (0.59)	CALCRCRHR1CRHR2AGTR2AGTR1
SCHEMBL30362915	0.85	CALCR (0.55)	CALCRCRHR1CRHR2AGTR2AGTR1

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-107660150-B	IL-18 binding proteins (IL-18 BP) and antibodies in inflammatory diseases	AB2生物股份有限公司	2023-10-24	—	—	CN	disclosed