SCHEMBL7210585

SCHEMBL7210585

CCN(CC)C(CO)c1cccc2cc(C)c(-c3ccccc3F)nc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MBNL1 Q9NR56 1/20 0.47
ATM Q13315 1/20 0.35
CTSA P10619 7/20 0.34
ALDH1A1 P00352 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
GCGR P47871 1/20 0.32
DHODH Q02127 1/20 0.32
GRIN2B Q13224 1/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
LMNA P02545 1/20 0.31
TRPV3 Q8NET8 1/20 0.31

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
SCHEMBL7210617 0.84 PDE10A (0.43) ATMCTSAALDH1A1GAAPDE1A
SCHEMBL7774855 0.80 KMT2A (0.38)
SCHEMBL7588247 0.78 MBNL1 (0.47) MBNL1ATMCTSAALDH1A1MGAM
SCHEMBL7869337 0.78 MEN1 (0.31)
Hydrochloric Acid SCHEMBL7869367 0.77 MEN1 (0.30)
SCHEMBL7118786 0.69 PARP1 (0.43) CTSAALDH1A1LMNATRPV3
SCHEMBL1598116 0.68 PIK3CD (0.49) MBNL1ATMMGAMGAASI
Pamoic Acid SCHEMBL7877934 0.67 POLB (0.52) ALDH1A1
SCHEMBL12728134 0.66 ATM (0.52) MBNL1ATMMGAMGAASI
SCHEMBL7115774 0.66 PDE10A (0.40) ATMCTSAALDH1A1GAAPDE1A

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 8 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 claimed
CN-1413196-A 2-Arylquinoline derivatives, preparation and therapeutic use thereof SANOFI SYNTHELABO (FR) 2003-04-23 CN claimed
EP-1240146-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-09-18 EP claimed
WO-2001038310-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2001-05-31 WO claimed
US-6617336-B1 Treatment of urinary incontinence, venous insufficiency, migraine or gastrointestinal disorders SANOFI-SYNTHELABO (FR) 2003-09-09 US disclosed
CN-1413196-A 2-Arylquinoline derivatives, preparation and therapeutic use thereof SANOFI SYNTHELABO (FR) 2003-04-23 CN 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