SCHEMBL17844104

SCHEMBL17844104

CCCCn1sc(-c2ccccc2)c(NCCOc2ccc(C(F)(F)F)cn2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.38
HCRTR2 O43614 4/20 0.38
GABRA5 P31644 1/20 0.37
FFAR1 O14842 1/20 0.36
HPGD P15428 1/20 0.36
PLAAT3 P53816 1/20 0.33
PLAAT5 Q96KN8 1/20 0.33
PLAAT2 Q9NWW9 1/20 0.33
PLAAT4 Q9UL19 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
MAPK1 P28482 1/20 0.33
LIPE Q05469 2/20 0.33
PPARD Q03181 1/20 0.33
SCN9A Q15858 1/20 0.32
CNR2 P34972 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL17844132 0.79 FAAH (0.39) HPGD
SCHEMBL17844220 0.78 FAAH (0.40) HPGD
SCHEMBL5184388 0.75 FAAH (0.47) HPGDMAPK1
SCHEMBL5186704 0.75 FAAH (0.38) HPGD
SCHEMBL17844161 0.74 FAAH (0.44) HPGD
SCHEMBL17844198 0.74 MEN1 (0.48) HPGD
SCHEMBL5607329 0.73 NPC1 (0.41)
SCHEMBL17844174 0.72 FAAH (0.40) HPGD
SCHEMBL5186011 0.71 ALDH1A1 (0.48) HPGDCNR2
SCHEMBL17844144 0.71 FAAH (0.40) MAPK1

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
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed