SCHEMBL3401424

SCHEMBL3401424

Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NCCN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.61
PPARD Q03181 5/20 0.61
PPARG P37231 2/20 0.52
CHRM4 P08173 3/20 0.51
SCN9A Q15858 1/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL3405464 0.99 PPARA (0.60) PPARAPPARDPPARGCHRM4SCN9A
SCHEMBL3403571 0.94 PPARA (0.58) PPARAPPARDPPARGCHRM4NPC1
SCHEMBL3398904 0.89 POLB (0.60) PPARAPPARDCHRM4SCN9ANPC1
SCHEMBL3398475 0.89 PPARA (0.49) PPARAPPARDPPARGCHRM4SCN9A
SCHEMBL3399733 0.88 GLS (0.48) PPARAPPARDCHRM4SCN9ANPC1
SCHEMBL3403462 0.87 CHRM4 (0.65) PPARAPPARDPPARGCHRM4NPC1
SCHEMBL3398969 0.86 HPGD (0.55) PPARAPPARDCHRM4SCN9ANPC1
SCHEMBL3405206 0.86 GLA (0.60) PPARACHRM4SCN9ANPC1ALDH1A1
SCHEMBL3398806 0.85 CHRM4 (0.54) PPARAPPARDCHRM4SCN9ANPC1
SCHEMBL3399982 0.85 PPARA (0.57) PPARAPPARDPPARGCHRM4NPC1

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-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