SCHEMBL4555911

SCHEMBL4555911

O=C1OC2(CCN(c3ccc(-c4noc(CO)n4)cn3)CC2)CN1c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
ALDH1A1 P00352 3/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SSTR5 P35346 4/20 0.39
NPY5R Q15761 9/20 0.37
GLA P06280 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC1 Q13547 1/20 0.37
ADRA1A P35348 2/20 0.37
GRM5 P41594 1/20 0.36
NOTUM Q6P988 1/20 0.36
KCNH2 Q12809 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
SCHEMBL4557277 0.86 DGAT1 (0.49) DGAT1HDAC1
SCHEMBL13930380 0.79 DRD2 (0.43) DGAT1ALDH1A1CASP1CASP7MAPT
SCHEMBL3741394 0.66 NPY5R (0.52) NPY5RADRA1AKCNH2
SCHEMBL13045576 0.66 NPY5R (0.52) NPY5RADRA1AKCNH2
SCHEMBL3741390 0.66 NPY5R (0.52) NPY5RADRA1AKCNH2
SCHEMBL4452633 0.65 SIGMAR1 (0.56) SSTR5KCNH2
SCHEMBL4557249 0.65 GRM5 (0.45) NPY5RADRA1AGRM5KCNH2
SCHEMBL10146472 0.64 DGAT1 (0.72) DGAT1NPY5RADRA1AKCNH2
SCHEMBL735835 0.64 NPY5R (0.47) NPY5RADRA1AKCNH2
SCHEMBL4556993 0.64 HDAC6 (0.50) HDAC1

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
WO-2009037542-A2 SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-03-26 WO claimed
WO-2009037542-A2 SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-03-26 WO disclosed
WO-2009037542-A2 SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-03-26 WO disclosed