SCHEMBL7210273

SCHEMBL7210273

CC(C)(C)[Si](C)(C)OCC(O)c1cccc2ccc(OS(=O)(=O)C(F)(F)F)nc12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
HSD11B1 P28845 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL7210519 0.85 PDE4A (0.33) PDE4APDE4CPDE4D
SCHEMBL1711997 0.82 MTNR1A (0.39) MTNR1AMTNR1B
SCHEMBL7210224 0.82 PDE4A (0.39) PDE4APDE4CPDE4DMTNR1AMTNR1B
SCHEMBL7590752 0.78 MTNR1A (0.36) PDE4APDE4CPDE4DHSD11B1MTNR1A
SCHEMBL3836934 0.76 PDE4A (0.36) PDE4APDE4CPDE4DHSD11B1MTNR1A
SCHEMBL7210600 0.74 PDE4A (0.36) PDE4APDE4CPDE4DMTNR1AMTNR1B
SCHEMBL7216226 0.73 PDE4A (0.34) PDE4APDE4CPDE4D
SCHEMBL7779987 0.72 MEN1 (0.33)
SCHEMBL17430077 0.71 PDE4A (0.41) PDE4APDE4CPDE4DHSD11B1MTNR1A
SCHEMBL7588354 0.69 MTNR1A (0.39) PDE4APDE4CPDE4DMTNR1AMTNR1B

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
US-6617336-B1 Treatment of urinary incontinence, venous insufficiency, migraine or gastrointestinal disorders SANOFI-SYNTHELABO (FR) 2003-09-09 US disclosed
EP-1240146-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-09-18 EP disclosed
WO-2001038310-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2001-05-31 WO disclosed