Oxybate

SCHEMBL8096046

O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CCCO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABBR1 GABBR2

The experimentally established mechanism targets of Oxybate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	GABBR2 known ✓	O75899	1/20	0.48

▸	GABBR1 known ✓	Q9UBS5	1/20	0.48

▸	CAMK2A	Q9UQM7	1/20	0.88

▸	GPR84	Q9NQS5	4/20	0.68

▸	FFAR1	O14842	2/20	0.68

▸	FFAR4	Q5NUL3	2/20	0.68

▸	LMNA	P02545	4/20	0.59

▸	SLC22A6	Q4U2R8	2/20	0.59

▸	TSHR	P16473	5/20	0.56

▸	NFKB1	P19838	2/20	0.56

▸	PMP22	Q01453	1/20	0.56

▸	HDAC11	Q96DB2	4/20	0.48

▸	KMT2A	Q03164	2/20	0.48

▸	GABRR3	A8MPY1	1/20	0.48

▸	GABRP	O00591	1/20	0.48

▸	GABRD	O14764	1/20	0.48

▸	HDAC3	O15379	1/20	0.48

▸	CYP1A2	P05177	1/20	0.48

▸	THRB	P10828	1/20	0.48

▸	GABRA1	P14867	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
Oxybate SCHEMBL1684269	1.00	CAMK2A (0.88)	CAMK2AGPR84FFAR1FFAR4LMNA
Oxybate SCHEMBL8092171	1.00	CAMK2A (0.88)	CAMK2AGPR84FFAR1FFAR4LMNA
Oxybate SCHEMBL7024078	1.00	CAMK2A (0.88)	CAMK2AGPR84FFAR1FFAR4LMNA
Oxybate SCHEMBL7030881	1.00	CAMK2A (0.88)	CAMK2AGPR84FFAR1FFAR4LMNA
Oxybate SCHEMBL28454779	0.94	—	—
Oxybate SCHEMBL1124035	0.94	CAMK2A (1.00)	CAMK2AGPR84FFAR1FFAR4LMNA
Oxybate SCHEMBL29059444	0.94	CAMK2A (1.00)	CAMK2AGPR84FFAR1FFAR4LMNA
Oxybate SCHEMBL10786	0.94	—	—
Oxybate SCHEMBL10533623	0.91	CAMK2A (0.82)	CAMK2AGPR84FFAR1FFAR4LMNA
Oxybate SCHEMBL23701412	0.90	—	—

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
EP-0800385-B1	ORAL SUSTAINED-RELEASE PREPARATION	TAKEDA CHEMICAL INDUSTRIES LTD (JP)	2000-12-20	—	—	EP	disclosed