SCHEMBL3404056

SCHEMBL3404056

Cc1nc(-c2ccccc2C(F)(F)F)sc1C(=O)NCCCCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
CHRM4 P08173 3/20 0.48
SMYD2 Q9NRG4 8/20 0.47
ACP1 P24666 1/20 0.45
DRD2 P14416 4/20 0.45
HTR2A P28223 2/20 0.45
HTR1A P08908 1/20 0.45
GAA P10253 1/20 0.45
DRD3 P35462 3/20 0.44
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL3404913 0.97 PPARD (0.53) PPARDPPARACHRM4SMYD2ACP1
SCHEMBL3405687 0.93 PPARD (0.54) PPARDPPARACHRM4SMYD2ACP1
SCHEMBL3400860 0.92 PPARD (0.54) PPARDPPARACHRM4SMYD2ACP1
SCHEMBL3403787 0.87 SMYD2 (0.50) PPARDPPARACHRM4SMYD2DRD2
SCHEMBL3405123 0.85 HTR3A (0.55) SMYD2DRD2HTR2AHTR1ADRD3
SCHEMBL3400465 0.85 SMYD2 (0.47) CHRM4SMYD2DRD2HTR2AHTR1A
SCHEMBL3401247 0.84 PPARD (0.48) PPARDPPARACHRM4LMNAMAPT
SCHEMBL3399440 0.84 CHRM4 (0.62) PPARDPPARACHRM4GAADRD3
SCHEMBL3402982 0.83 SMYD2 (0.53) PPARDPPARACHRM4SMYD2ACP1
SCHEMBL3403830 0.83 HTR3A (0.47) SMYD2DRD2HTR2AHTR1AGAA

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