SCHEMBL6603843

SCHEMBL6603843

CCN(CC)CCOc1cc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.54
MCHR1 Q99705 6/20 0.53
PPARA Q07869 7/20 0.53
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
SCD O00767 1/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PPARG P37231 3/20 0.46
PPARD Q03181 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL6605515 0.94 NR1H4 (0.53) NR1H4MCHR1PPARANPC1ALDH1A1
SCHEMBL6604936 0.91 MEN1 (0.53) NR1H4MCHR1PPARAALDH1A1SCD
SCHEMBL7723576 0.90 MAPT (0.53) MCHR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6605510 0.90 MCHR1 (0.67) NR1H4MCHR1PPARANPC1ALDH1A1
SCHEMBL6603893 0.89 MCHR1 (0.61) MCHR1NPC1ALDH1A1GAAMAPT
SCHEMBL6604744 0.87 MCHR1 (0.57) NR1H4MCHR1PPARANPC1ALDH1A1
SCHEMBL6603157 0.86 MAPT (0.53) NR1H4MCHR1PPARAALDH1A1SCD
SCHEMBL6604870 0.84 MAPT (0.52) MCHR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6609501 0.84 MEN1 (0.56) MCHR1MAPTMEN1KMT2A
SCHEMBL6602555 0.84 MAPT (0.52) MCHR1NPC1ALDH1A1GAAMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP claimed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP claimed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed