SCHEMBL5230464

SCHEMBL5230464

CC1(C)C(=O)Nc2ccc(-c3cccn3C(=O)O)cc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 13/20 0.53
PDE3B Q13370 5/20 0.47
PDE3A Q14432 5/20 0.47
EPHX2 P34913 1/20 0.45
PDE4A P27815 4/20 0.43
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL1222776 0.83 PGR (0.47) PGRPDE3BPDE3APDE4APDE4B
SCHEMBL5230474 0.81 PGR (0.50) PGRPDE3BPDE3AEPHX2PDE4A
SCHEMBL1222740 0.81 PGR (0.55) PGRPDE3BPDE3APDE4APDE4B
SCHEMBL1223262 0.81 PGR (0.55) PGRPDE3BPDE3APDE4APDE4B
SCHEMBL3990700 0.79 PGR (0.58) PGR
SCHEMBL27448644 0.76 PGR (0.47) PGRPDE3BPDE3AEPHX2PDE4A
SCHEMBL3987247 0.71 PGR (0.43) PGR
SCHEMBL7128459 0.71 PGR (0.44) PGRPDE3BPDE3APDE4APDE4B
SCHEMBL12886136 0.70 PGR (0.65) PGRPDE3BPDE3APDE4APDE4B
SCHEMBL4809621 0.69 PGR (1.00) PGR

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