SCHEMBL3396985

SCHEMBL3396985

CCN(CC)CCN(CC)C(=O)c1sc(-c2ccccc2C(F)(F)F)nc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
HTR2C P28335 6/20 0.45
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 1/20 0.40
CDC7 O00311 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
CRHR1 P34998 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
SCHEMBL3401487 0.89 HTR2C (0.55) PPARDPPARAHTR2CRAB9AALDH1A1
SCHEMBL3403924 0.86 HTR2C (0.47) HTR2CRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3396857 0.84 HTR2C (0.66) HTR2CRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3401776 0.83 HTR2C (0.45) HTR2CRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3401169 0.83 HTR2C (0.47) HTR2CRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3398874 0.82 PPARD (0.56) PPARDPPARAALDH1A1NPC1SMN1; SMN2
SCHEMBL3404364 0.82 HTR2C (0.51) HTR2CRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3400911 0.81 ALDH1A1 (0.47) HTR2CRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3405112 0.81 PPARD (0.54) PPARDPPARAALDH1A1NPC1SMN1; SMN2
SCHEMBL3405368 0.79 CRHR1 (0.41) HTR2CRAB9AALDH1A1NPC1SMN1; SMN2

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