SCHEMBL7439443

SCHEMBL7439443

O=S(=O)(c1ccc(Cl)cc1)c1ccc(OCCC2CCCCN2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.56
NPY1R P25929 3/20 0.47
AURKB Q96GD4 1/20 0.45
KMT2A Q03164 1/20 0.44
CHEK2 O96017 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
SSTR2 P30874 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
SCHEMBL11448671 0.90 LTA4H (0.68) LTA4HNPY1RAURKBCHEK2SSTR2
SCHEMBL7438835 0.89 KMT2A (0.57) LTA4HKMT2ACHEK2
SCHEMBL7445314 0.88 LTA4H (0.56) LTA4HKMT2ACHEK2PSEN1PSEN2
SCHEMBL7446075 0.86 LTA4H (0.75) LTA4HNPY1RAURKBSSTR2
SCHEMBL11447734 0.86 LTA4H (0.67) LTA4HNPY1R
SCHEMBL7447377 0.83 LTA4H (0.56) LTA4HNPY1RAURKBCHEK2
SCHEMBL7447210 0.82 LTA4H (0.45) LTA4HKMT2ACHEK2
SCHEMBL7444871 0.81 LTA4H (0.56) LTA4HNPY1RAURKBKMT2ACHEK2
SCHEMBL7347261 0.77 LTA4H (0.54) LTA4HCHEK2
SCHEMBL2185418 0.76 LTA4H (0.50) LTA4HNPY1RCHEK2SSTR2

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-0763021-A1 PHENOXYALKYL SUBSTITUTED PIPERIDINES, PYRROLIDINES, MORPHOLINES AND TIOMORPHOLINES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-03-19 EP claimed
WO-1995033722-A1 PHENOXYALKYL SUBSTITUTED PIPERIDINES, PYRROLIDINES, MORPHOLINES AND TIOMORPHOLINES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-12-14 WO claimed
EP-0763021-A1 PHENOXYALKYL SUBSTITUTED PIPERIDINES, PYRROLIDINES, MORPHOLINES AND TIOMORPHOLINES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-03-19 EP disclosed
WO-1995033722-A1 PHENOXYALKYL SUBSTITUTED PIPERIDINES, PYRROLIDINES, MORPHOLINES AND TIOMORPHOLINES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-12-14 WO disclosed