SCHEMBL694108

SCHEMBL694108

Cc1[nH]c2c[c]ccc2c1Cc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.55
PTGS2 P35354 4/20 0.55
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
SLC2A1 P11166 1/20 0.38
PTPN5 P54829 1/20 0.36
ALKBH3 Q96Q83 2/20 0.36
TBXAS1 P24557 1/20 0.35
KRAS P01116 1/20 0.33
CYP3A4 P08684 1/20 0.33
AR P10275 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 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
SCHEMBL694447 0.85 MAPT (0.41) PTGS1PTGS2MAPTALDH1A1GAA
SCHEMBL715972 0.84 PTGS1 (0.43) PTGS1PTGS2MAPTSLC2A1
SCHEMBL693485 0.79 PTGS1 (0.60) PTGS1PTGS2MAPTALDH1A1LMNA
SCHEMBL695860 0.75 IMPDH2 (0.40) PTGS2MAPTALDH1A1LMNAGAA
SCHEMBL4053484 0.73 MAPT (0.54) MAPTALDH1A1GAAPKMHPGD
SCHEMBL5115827 0.71 PTGS2 (1.00) PTGS1PTGS2SLC2A1
SCHEMBL694563 0.71 PARP1 (0.46) MAPTALDH1A1LMNAAR
SCHEMBL4847195 0.69 AHR (0.52) MAPTALDH1A1HPGDTSHR
SCHEMBL693676 0.68 AHR (0.32)
SCHEMBL3986875 0.67 PTGS2 (0.50) PTGS1PTGS2MAPTALDH1A1LMNA

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
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP claimed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP disclosed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed