SCHEMBL15949271

SCHEMBL15949271

O=C(c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CC(N2CCN(C(=O)C(F)(F)F)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD11B1 P28845 1/20 0.50
HPGD P15428 2/20 0.48
CASP1 P29466 1/20 0.48
HTT P42858 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
CACNA1B Q00975 2/20 0.45
MGLL Q99685 1/20 0.44
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
PKLR P30613 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL693935 0.92 CYP3A4 (0.53) ALDH1A1SMN1; SMN2HSD11B1HPGDCASP1
SCHEMBL15949455 0.87 CACNA1B (0.47) ALDH1A1SMN1; SMN2HSD11B1HPGDCASP1
SCHEMBL694019 0.84 MGLL (0.50) ALDH1A1SMN1; SMN2HSD11B1HPGDCASP1
SCHEMBL693719 0.84 MGLL (0.54) ALDH1A1SMN1; SMN2HSD11B1HPGDCASP1
SCHEMBL15949406 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HSD11B1HPGDLMNA
SCHEMBL913340 0.78 MGLL (0.56) ALDH1A1SMN1; SMN2HSD11B1HPGDCASP1
SCHEMBL15949446 0.78 MGLL (0.53) HSD11B1HPGDLMNAMGLLPOLB
SCHEMBL912310 0.76 MGLL (0.50) MGLLGAACYP3A4CYP2C19RXFP1
SCHEMBL912390 0.76 MGLL (0.54) ALDH1A1SMN1; SMN2HSD11B1HPGDCASP1
SCHEMBL15949273 0.76 CA12 (0.47) ALDH1A1SMN1; SMN2HSD11B1HPGDHTT

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
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP disclosed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP disclosed