SCHEMBL7367603

SCHEMBL7367603

Cc1ccc(CC2CCN(CCS(=O)(=O)c3ccc(O)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 2/20 0.57
OPRM1 P35372 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46

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
SCHEMBL5505080 0.88 GRIN2B (0.59) GRIN1GRIN2BGRIN2DGRIN3BADRA1D
Hydrochloric Acid SCHEMBL5974096 0.87 GRIN2B (0.58) GRIN1GRIN2BGRIN2DGRIN3BADRA1D
SCHEMBL5974310 0.83 ALDH1A1 (0.49) MAPK1ALDH1A1MEN1KMT2A
SCHEMBL5974263 0.83 MAPK1 (0.42) MAPK1ALDH1A1OPRM1MEN1KMT2A
SCHEMBL5505091 0.83 ALDH1A1 (0.49) MAPK1ALDH1A1MEN1KMT2A
SCHEMBL5502026 0.83 ALDH1A1 (0.49) MAPK1ALDH1A1MEN1KMT2A
SCHEMBL5509796 0.80 ALDH1A1 (0.56) MAPK1ALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5974434 0.79 ALDH1A1 (0.55) MAPK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7405065 0.76 TMEM97 (0.62) KDM4EGRIN1GRIN2BGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL7406531 0.75 TMEM97 (0.61) OPRM1GRIN1GRIN2BGRIN2DGRIN3B

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-1189886-A1 ETHANESULFONYL-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-27 EP claimed
WO-2000075109-A1 ETHANESULFONYL-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-14 WO claimed