SCHEMBL3275079

SCHEMBL3275079

C#C[C@]1(OCCCCC)CC[C@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@@H]4[C@H]3CC[C@@]21CC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.73
▸ SLC6A4 P31645 5/20 0.73
▸ NR3C1 P04150 4/20 0.73
▸ NR1I2 O75469 2/20 0.73
▸ ADORA3 P0DMS8 2/20 0.73
▸ SLC6A2 P23975 2/20 0.73
▸ AGTR1 P30556 1/20 0.73
▸ DRD3 P35462 1/20 0.73
▸ SLC6A3 Q01959 1/20 0.73
▸ PDE4D Q08499 1/20 0.73
▸ PDK1 Q15118 3/20 0.53
▸ PDK2 Q15119 3/20 0.53
▸ PDK3 Q15120 3/20 0.53
▸ PDK4 Q16654 3/20 0.53
▸ CYP3A4 P08684 5/20 0.50
▸ LMNA P02545 5/20 0.50
▸ AR P10275 5/20 0.50
▸ ABCB11 O95342 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL3275082 1.00 PGR (0.73) PGRSLC6A4NR3C1NR1I2ADORA3
SCHEMBL11699972 0.87 PGR (0.80) PGRSLC6A4NR3C1NR1I2ADORA3
SCHEMBL22382736 0.87 PGR (0.76) PGRSLC6A4NR3C1NR1I2ADORA3
Norgestimate SCHEMBL15233395 0.84 PGR (1.00) PGRSLC6A4NR3C1NR1I2ADORA3
Norgestimate SCHEMBL38317 0.84 PGR (1.00) PGRSLC6A4NR3C1NR1I2ADORA3
Norgestimate SCHEMBL5173707 0.84 PGR (1.00) PGRSLC6A4NR3C1NR1I2ADORA3
Norgestimate SCHEMBL633395 0.84 PGR (1.00) PGRSLC6A4NR3C1NR1I2ADORA3
Norgestimate SCHEMBL38318 0.84 PGR (1.00) PGRSLC6A4NR3C1NR1I2ADORA3
Norelgestromin SCHEMBL3267125 0.81 NR1I2 (1.00) PGRSLC6A4NR3C1NR1I2ADORA3
Norelgestromin SCHEMBL4814600 0.81 NR1I2 (1.00) PGRSLC6A4NR3C1NR1I2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641812-B1 PURE d-(17alpha)-13-ETHYL-17-HYDROXY-18,19-DINORPREGN-4-ENE-20-YNE-3-ONE-3E- AND -3Z-OXIME ISOMERS, AS WELL AS PROCESS FOR THE SYNTHESIS OF THE MIXTURE OF ISOMERS AND THE PURE ISOMERS RICHTER GEDEON NYRT (HU) 2010-06-09 — — EP disclosed
EP-1641812-A1 PURE D-(17a)-13-ETHYL-17-HYDROXY-18,19-DINORPREGN-4-ENE-20-YNE-3-ONE-3E- AND -3Z-OXIME ISOMERS, AS WELL AS PROCESS FOR THE SYNTHESIS OF THE MIXTURE OF ISOMERS AND THE PURE ISOMERS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2006-04-05 — — EP disclosed
WO-2005000867-A1 PURE D-(17α)-13-ETHYL-17-HYDROXY-18,19-DINORPREGN-4-ENE-20-YNE-3-ONE-3E- AND -3Z-OXIME ISOMERS, AS WELL AS PROCESS FOR THE SYNTHESIS OF THE MIXTURE OF ISOMERS AND THE PURE ISOMERS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2005-01-06 — — WO disclosed
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