SCHEMBL4608227

SCHEMBL4608227

NC1CCCC1c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.40
GRIN2B Q13224 2/20 0.40
RCOR1 Q9UKL0 1/20 0.40
MAOB P27338 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KIF11 P52732 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
GALR1 P47211 1/20 0.37
MAOA P21397 1/20 0.37
TNK2 Q07912 1/20 0.36
SLC6A4 P31645 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL14141322 0.82 KDM1A (0.41) KDM1AGRIN2BRCOR1MAOBL3MBTL1
SCHEMBL4604973 0.80 KDM1A (0.61) KDM1AMAOBMAOA
SCHEMBL4608225 0.79 SCN9A (0.44) KDM1AMAOBL3MBTL1SLC6A4SCN9A
SCHEMBL7001130 0.79 KDM1A (0.58) KDM1ARCOR1MAOBMAOA
SCHEMBL7001127 0.79 KDM1A (0.58) KDM1ARCOR1MAOBMAOA
SCHEMBL16041160 0.78 GCGR (0.34) KDM1AGRIN2BL3MBTL1TNK2
SCHEMBL31513808 0.76 AR (0.43) KDM1AGRIN2BRCOR1L3MBTL1SLC6A4
SCHEMBL31513755 0.76 AR (0.43) KDM1AGRIN2BRCOR1L3MBTL1SLC6A4
SCHEMBL4606554 0.75 KDM1A (0.66) KDM1ARCOR1MAOBMAOASLC6A4
SCHEMBL14893715 0.74 GRIN2B (0.34) KDM1AGRIN2BRCOR1L3MBTL1KIF11

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
EP-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP claimed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 US claimed
EP-1246797-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP claimed
WO-2001042203-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-14 WO claimed
EP-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP disclosed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 US disclosed
EP-1246797-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
WO-2001042203-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-14 WO disclosed