SCHEMBL30485542

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A2	P23975	2/20	0.48

▸	CALCRL	Q16602	6/20	0.47

▸	XIAP	P98170	1/20	0.42

▸	RAMP1	O60894	1/20	0.41

▸	CAPN1	P07384	3/20	0.40

▸	CMA1	P23946	1/20	0.39

▸	GRB2	P62993	1/20	0.39

▸	OPRM1	P35372	1/20	0.39

▸	CTSB	P07858	1/20	0.38

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
SCHEMBL30485547	0.93	SLC6A2 (0.51)	SLC6A2CALCRLXIAPRAMP1CAPN1
SCHEMBL29679612	0.84	CAPN1 (0.46)	SLC6A2CALCRLXIAPRAMP1CAPN1
SCHEMBL30578807	0.83	SLC6A2 (0.53)	SLC6A2CALCRLXIAPRAMP1CAPN1
SCHEMBL30956650	0.82	CALCRL (0.51)	CALCRLRAMP1
SCHEMBL29679608	0.81	CAPN1 (0.49)	SLC6A2CALCRLXIAPCAPN1CMA1
SCHEMBL29404832	0.81	SLC6A2 (0.48)	SLC6A2CALCRLXIAPRAMP1CAPN1
SCHEMBL32670390	0.80	SLC6A2 (0.59)	SLC6A2CALCRLOPRM1
SCHEMBL29630673	0.79	CAPN1 (0.47)	SLC6A2CALCRLXIAPCAPN1CMA1
SCHEMBL30595823	0.79	ACE (0.45)	SLC6A2XIAPGRB2OPRM1
SCHEMBL30595824	0.79	ACE (0.45)	SLC6A2XIAPGRB2OPRM1

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