SCHEMBL28044904

SCHEMBL28044904

O=C(NC1CC1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
CYP3A5 P20815 1/20 0.52
FAAH O00519 1/20 0.51
HDAC4 P56524 1/20 0.50
HPGDS O60760 6/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
ACKR3 P25106 1/20 0.47
GABRA5 P31644 1/20 0.47
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
TAAR1 Q96RJ0 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
SCHEMBL23573487 0.94 CYP3A4 (0.51) CYP3A4CYP3A5FAAHHDAC4HPGDS
SCHEMBL1317634 0.93 NPC1 (0.56) HDAC4ACKR3
SCHEMBL17688886 0.85 HPGDS (0.50) HPGDS
SCHEMBL3422682 0.82 MTNR1A (0.50) FAAHHPGDS
SCHEMBL3390877 0.82 MTNR1A (0.50) FAAHHPGDS
SCHEMBL10212172 0.81 HDAC4 (0.59) HDAC4HPGDSACKR3
SCHEMBL12540781 0.81 FAAH (0.49) FAAHACKR3
SCHEMBL12688858 0.81 FAAH (0.49) FAAHACKR3
SCHEMBL12540780 0.81 FAAH (0.49) FAAHACKR3
SCHEMBL3803983 0.80 ALDH1A1 (0.47) FAAHHPGDSACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102741222-B Haloalkyl-substituted amides as insecticides and acaricides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-02 CN disclosed