SCHEMBL4314282

SCHEMBL4314282

COCCCCc1cc(COC2CCC(CBr)N(S(=O)(=O)c3ccc(C)cc3)C2)cc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 6/20 0.35
GAA P10253 2/20 0.34
CASP3 P42574 5/20 0.33
CASP7 P55210 4/20 0.33
CASP1 P29466 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP1 P09874 2/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL3942325 1.00 FKBP1A (0.35) FKBP1AGAACASP3CASP7CASP1
SCHEMBL3929383 0.92 FKBP1A (0.37) FKBP1AGAACASP3CASP7CASP1
SCHEMBL4060012 0.91 CASP3 (0.36) FKBP1AGAACASP3CASP7CASP1
SCHEMBL4060017 0.91 CASP3 (0.36) FKBP1AGAACASP3CASP7CASP1
SCHEMBL3940425 0.88 FKBP1A (0.34) FKBP1AGAACASP3CASP7
SCHEMBL3932125 0.87 FKBP1A (0.37) FKBP1AGAACASP3CASP7CASP1
SCHEMBL3942855 0.86 GAA (0.36) FKBP1AGAACASP3CASP7ALDH1A1
SCHEMBL4314277 0.83 GAA (0.35) FKBP1AGAACASP3CASP7CASP1
SCHEMBL4050149 0.80 CNR2 (0.36) FKBP1AGAAALDH1A1LMNAKMT2A
SCHEMBL3930886 0.74 CYP2C9 (0.36) GAACASP3CASP7LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 EP disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 WO disclosed