SCHEMBL6407840

SCHEMBL6407840

N#Cc1ccc(-c2ccc3c(c2)C2(CCCC2)C(=O)N3)[nH]1

nearest known ligand 0.98

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 19/20 0.98
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49

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
SCHEMBL6409727 0.99 PGR (1.00) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL11903473 0.85 PGR (0.72) PGR
SCHEMBL4104125 0.82 PGR (0.71) PGR
SCHEMBL4104128 0.82 PGR (0.71) PGR
SCHEMBL3422468 0.81 PGR (0.70) PGR
SCHEMBL4534292 0.81 PGR (0.70) PGR
SCHEMBL1223269 0.81 PGR (0.67) PGR
SCHEMBL5226194 0.79 PGR (1.00) PGR
SCHEMBL3523720 0.78 PGR (1.00) PGR
SCHEMBL5225371 0.76 PGR (1.00) PGRPDE4APDE4BPDE4CPDE4D

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173433-B1 CYANOPYRROLES AS PROGESTERONE RECEPTOR AGONISTS WYETH CORP (US) 2005-12-28 EP claimed
EP-1173433-B1 CYANOPYRROLES AS PROGESTERONE RECEPTOR AGONISTS WYETH CORP (US) 2005-12-28 EP disclosed