SCHEMBL7445314

SCHEMBL7445314

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.56
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
SCHEMBL6608869 0.90 LTA4H (0.68) LTA4HCHEK2
SCHEMBL7438835 0.89 KMT2A (0.57) LTA4HKMT2ACHEK2
SCHEMBL7447210 0.89 LTA4H (0.45) LTA4HKMT2ACHEK2
SCHEMBL7439443 0.88 LTA4H (0.56) LTA4HKMT2ACHEK2PSEN1PSEN2
SCHEMBL7448818 0.86 LTA4H (0.75) LTA4HCHEK2
SCHEMBL11447699 0.86 LTA4H (0.61) LTA4H
Hydrochloric Acid SCHEMBL7494733 0.85 LTA4H (0.73) LTA4HCHEK2
SCHEMBL7443334 0.84 LTA4H (0.60) LTA4HCHEK2
Hydrochloric Acid SCHEMBL7494004 0.82 LTA4H (0.59) LTA4H
Hydrochloric Acid SCHEMBL7435059 0.82 LTA4H (0.55) LTA4HCHEK2

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