SCHEMBL24574056

SCHEMBL24574056

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

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.84
SLC6A4 P31645 5/20 0.84
NR3C1 P04150 4/20 0.84
ADORA3 P0DMS8 3/20 0.84
SLC6A2 P23975 3/20 0.84
NR1I2 O75469 2/20 0.84
AGTR1 P30556 1/20 0.84
DRD3 P35462 1/20 0.84
SLC6A3 Q01959 1/20 0.84
PDE4D Q08499 1/20 0.84
CYP3A4 P08684 6/20 0.59
AR P10275 6/20 0.59
ABCB11 O95342 5/20 0.59
CYP2C19 P33261 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 2/20 0.59
CHRM1 P11229 2/20 0.59
ADRA1A P35348 2/20 0.59
MAPK1 P28482 2/20 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.

Compoundsimilaritytop predictedshared targets
Norgestimate SCHEMBL1411821 0.91 PGR (1.00) PGRSLC6A4NR3C1ADORA3SLC6A2
Norgestimate SCHEMBL5173707 0.91 PGR (1.00) PGRSLC6A4NR3C1ADORA3SLC6A2
Norgestimate SCHEMBL633395 0.91 PGR (1.00) PGRSLC6A4NR3C1ADORA3SLC6A2
Norgestimate SCHEMBL38318 0.91 PGR (1.00) PGRSLC6A4NR3C1ADORA3SLC6A2
Norgestimate SCHEMBL15233395 0.91 PGR (1.00) PGRSLC6A4NR3C1ADORA3SLC6A2
Norgestimate SCHEMBL5523236 0.91 PGR (1.00) PGRSLC6A4NR3C1ADORA3SLC6A2
Norgestimate SCHEMBL38317 0.91 PGR (1.00) PGRSLC6A4NR3C1ADORA3SLC6A2
Norgestimate SCHEMBL28685734 0.90 PGR (0.98) PGRSLC6A4NR3C1ADORA3SLC6A2
SCHEMBL5692407 0.88 PGR (0.79) PGRSLC6A4NR3C1ADORA3SLC6A2
SCHEMBL3164280 0.88 PGR (0.79) PGRSLC6A4NR3C1ADORA3SLC6A2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140705-A1 PRODRUGS OF PHARMACEUTICAL AGENTS ALMARSSON ORN (US) 2022-06-30 WO disclosed