SCHEMBL5230474

SCHEMBL5230474

CC1(C)C(=O)Nc2ccc(-c3cccn3OC(=O)O)cc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 13/20 0.50
PDE3B Q13370 5/20 0.44
PDE3A Q14432 5/20 0.44
EPHX2 P34913 1/20 0.43
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39

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
SCHEMBL5230464 0.81 PGR (0.53) PGRPDE3BPDE3AEPHX2PDE4A
SCHEMBL1222776 0.76 PGR (0.47) PGRPDE3BPDE3APDE4APDE4B
SCHEMBL6812414 0.70 PGR (0.47) PGR
SCHEMBL9376035 0.68 MAOB (0.50) PGRPDE3BPDE3APDE4APDE4B
SCHEMBL5225707 0.65 PGR (1.00) PGRPDE3BPDE3APDE4APDE4B
SCHEMBL3521399 0.65 PGR (1.00) PGRPDE3BPDE3A
SCHEMBL3518135 0.64 PGR (1.00) PGRPDE3BPDE3A
SCHEMBL1222740 0.64 PGR (0.55) PGRPDE3BPDE3APDE4APDE4B
SCHEMBL4809621 0.64 PGR (1.00) PGR
SCHEMBL12886131 0.64 PGR (0.63) PGRPDE3BPDE3APDE4APDE4B

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
EP-1175398-B1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS WYETH CORP (US) 2007-07-11 EP claimed