SCHEMBL7438835

SCHEMBL7438835

O=S(=O)(c1ccccc1)c1ccc(OCCC2CCCCN2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
LTA4H P09960 13/20 0.52
MEN1 O00255 1/20 0.46
CHEK2 O96017 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL7439443 0.89 LTA4H (0.56) KMT2ALTA4HCHEK2
SCHEMBL7445314 0.89 LTA4H (0.56) KMT2ALTA4HCHEK2
SCHEMBL7447210 0.88 LTA4H (0.45) KMT2ALTA4HCHEK2
SCHEMBL4965391 0.85 LTA4H (0.64) KMT2ALTA4HPOLB
SCHEMBL7335832 0.83 LTA4H (0.74) LTA4HPOLB
Hydrochloric Acid SCHEMBL7334091 0.82 LTA4H (0.72) KMT2ALTA4HPOLB
SCHEMBL6610063 0.81 LTA4H (0.57) LTA4H
SCHEMBL13809106 0.81 LTA4H (0.76) LTA4HPOLB
SCHEMBL7326422 0.81 LTA4H (0.76) LTA4HPOLB
SCHEMBL7327575 0.81 LTA4H (0.60) KMT2ALTA4HPOLB

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