SCHEMBL3403571

SCHEMBL3403571

Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NCCCCN1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.58
PPARD Q03181 5/20 0.58
PPARG P37231 2/20 0.50
CHRM4 P08173 3/20 0.49
FPR3 P25089 2/20 0.46
FPR2 P25090 2/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL3401424 0.94 PPARA (0.61) PPARAPPARDPPARGCHRM4NPC1
SCHEMBL3405464 0.93 PPARA (0.60) PPARAPPARDPPARGCHRM4NPC1
SCHEMBL3404144 0.90 PPARA (0.47) PPARAPPARDCHRM4NPC1GAA
SCHEMBL3404897 0.89 ACHE (0.54) PPARAPPARDCHRM4ALDH1A1GAA
SCHEMBL3399440 0.88 CHRM4 (0.62) PPARAPPARDPPARGCHRM4NPC1
SCHEMBL3399687 0.87 CHRM4 (0.52) PPARACHRM4NPC1ALDH1A1GAA
SCHEMBL3401121 0.85 AGER (0.47) CHRM4NPC1ALDH1A1
SCHEMBL3405022 0.85 PPARA (0.52) PPARAPPARDPPARGCHRM4NPC1
SCHEMBL3398627 0.85 CHRM4 (0.60) PPARAPPARDCHRM4NPC1ALDH1A1
SCHEMBL3401183 0.84 MAPT (0.49) PPARAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed