Etonogestrel

SCHEMBL6437330

C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC.C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC.C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC.C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC.C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC.C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC.CCCCCCC(=O)O.CCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PGR

The experimentally established mechanism targets of Etonogestrel. 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
▸	PGR known ✓	P06401	7/20	0.81

▸	SHBG	P04278	8/20	0.81

▸	AR	P10275	6/20	0.81

▸	ESR1	P03372	5/20	0.81

▸	OPRM1	P35372	3/20	0.81

▸	SLC6A4	P31645	5/20	0.60

▸	NR3C1	P04150	3/20	0.60

▸	NR1I2	O75469	2/20	0.60

▸	CHRM2	P08172	1/20	0.60

▸	ADORA3	P0DMS8	1/20	0.60

▸	DRD1	P21728	1/20	0.60

▸	PTGS1	P23219	1/20	0.60

▸	SLC6A2	P23975	1/20	0.60

▸	AGTR1	P30556	1/20	0.60

▸	CCKBR	P32239	1/20	0.60

▸	DRD3	P35462	1/20	0.60

▸	SLC6A3	Q01959	1/20	0.60

▸	PDE4D	Q08499	1/20	0.60

▸	KCNH2	Q12809	1/20	0.60

▸	LMNA	P02545	6/20	0.59

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
Etonogestrel SCHEMBL6230734	1.00	SHBG (0.81)	SHBGPGRARESR1OPRM1
Etonogestrel SCHEMBL5023860	1.00	SHBG (0.81)	SHBGPGRARESR1OPRM1
Etonogestrel SCHEMBL5729815	1.00	SHBG (0.81)	SHBGPGRARESR1OPRM1
Etonogestrel SCHEMBL6150744	1.00	SHBG (0.81)	SHBGPGRARESR1OPRM1
Etonogestrel SCHEMBL14946854	0.90	SHBG (1.00)	SHBGPGRARESR1OPRM1
Etonogestrel SCHEMBL484265	0.90	SHBG (1.00)	SHBGPGRARESR1OPRM1
Etonogestrel SCHEMBL6462179	0.90	SHBG (1.00)	SHBGPGRARESR1OPRM1
Etonogestrel SCHEMBL1649327	0.90	SHBG (1.00)	SHBGPGRARESR1OPRM1
Etonogestrel SCHEMBL117703	0.90	SHBG (1.00)	SHBGPGRARESR1OPRM1
Etonogestrel SCHEMBL19510085	0.90	SHBG (1.00)	SHBGPGRARESR1OPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1513588-A2	USE OF NEW ETONOGESTREL ESTERS	Akzo Nobel N.V. (NL)	2005-03-16	—	—	EP	disclosed
WO-2003101374-A2	USE OF NEW ETONOGESTREL ESTERS	AKZO NOBEL N.V. (NL)	2003-12-11	—	—	WO	disclosed