SCHEMBL29960236

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	SLC6A2	P23975	2/20	0.60

▸	F2	P00734	4/20	0.57

▸	OPRM1	P35372	2/20	0.54

▸	OPRD1	P41143	2/20	0.54

▸	C5AR1	P21730	2/20	0.54

▸	CALCR	P30988	4/20	0.51

▸	MC4R	P32245	1/20	0.50

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
SCHEMBL29557894	0.91	C5AR1 (0.59)	SLC6A2C5AR1
SCHEMBL30209621	0.88	F2 (0.60)	SLC6A2F2CALCRMC4R
SCHEMBL29637839	0.88	F2 (0.54)	SLC6A2F2OPRM1OPRD1C5AR1
SCHEMBL30383056	0.87	F2 (0.53)	SLC6A2F2OPRM1OPRD1C5AR1
SCHEMBL31622475	0.87	C5AR1 (0.67)	F2C5AR1CALCRMC4R
SCHEMBL31519878	0.86	SLC6A2 (0.54)	SLC6A2F2OPRM1OPRD1C5AR1
SCHEMBL31622479	0.86	C5AR1 (0.68)	F2C5AR1CALCRMC4R
SCHEMBL30668090	0.85	C5AR1 (0.59)	F2C5AR1
SCHEMBL32691359	0.85	SLC6A2 (0.70)	SLC6A2F2OPRM1OPRD1C5AR1
SCHEMBL29398364	0.85	F2 (0.55)	SLC6A2F2OPRM1OPRD1C5AR1

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-109988770-B	Heavy chain and light chain variable region gene of c-di-AMP synthetase monoclonal antibody, encoded polypeptide and application thereof	中国人民解放军第四军医大学	2022-11-22	—	—	CN	disclosed