SCHEMBL30485544

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	5/20	0.59

▸	NMUR1	Q9HB89	5/20	0.59

▸	CALCR	P30988	2/20	0.58

▸	RAMP3	O60896	1/20	0.58

▸	KEAP1	Q14145	3/20	0.58

▸	MAPK8	P45983	1/20	0.58

▸	MAPK9	P45984	1/20	0.58

▸	MAPK10	P53779	1/20	0.58

▸	EPHA2	P29317	2/20	0.57

▸	EP300	Q09472	1/20	0.57

▸	HIF1A	Q16665	1/20	0.57

▸	CXCR4	P61073	2/20	0.57

▸	TFPI	P10646	1/20	0.55

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
SCHEMBL30327447	0.90	RAMP3 (0.64)	NMUR2NMUR1CALCRRAMP3EP300
SCHEMBL30485541	0.90	MAPK8 (0.68)	NMUR2NMUR1CALCRRAMP3KEAP1
SCHEMBL31182617	0.89	NPY2R (0.61)	KEAP1EP300HIF1ACXCR4TFPI
SCHEMBL30731385	0.89	NMUR2 (0.64)	NMUR2NMUR1CALCRRAMP3KEAP1
SCHEMBL30906542	0.89	EPHA2 (0.64)	NMUR2NMUR1CALCRRAMP3MAPK8
SCHEMBL30436240	0.89	RAMP3 (0.64)	NMUR2NMUR1CALCRRAMP3EPHA2
SCHEMBL30906437	0.88	EPHA2 (0.61)	NMUR2NMUR1CALCRRAMP3MAPK8
SCHEMBL30906428	0.88	EPHA2 (0.59)	CALCRRAMP3MAPK8MAPK9MAPK10
SCHEMBL30842156	0.88	NMUR2 (0.65)	NMUR2NMUR1KEAP1CXCR4TFPI
SCHEMBL31182462	0.88	CALCR (0.64)	NMUR2NMUR1CALCRRAMP3MAPK8

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-109912709-B	Preparation method of acid-sensitive ion channel inhibitor	北京大学深圳研究生院	2023-07-14	—	—	CN	disclosed