SCHEMBL7445359

SCHEMBL7445359

CC(C)(c1ccc(F)cc1)c1ccc(OCCC2CCCCN2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.56
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHEK2 O96017 1/20 0.41
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
SCHEMBL7448799 0.89 MEN1 (0.54) LTA4HPSMB1PSMB5PSMB2MEN1
SCHEMBL7444811 0.89 LTA4H (0.45) LTA4HPSMB1PSMB5PSMB2MEN1
SCHEMBL7444871 0.88 LTA4H (0.56) LTA4HPSMB1PSMB5PSMB2MEN1
SCHEMBL23474908 0.86 LTA4H (0.52) LTA4HMEN1KMT2ACHEK2
SCHEMBL7448818 0.86 LTA4H (0.75) LTA4HCHEK2
SCHEMBL13761573 0.86 LTA4H (0.52) LTA4HMEN1KMT2ACHEK2
SCHEMBL23474877 0.86 LTA4H (0.52) LTA4HMEN1KMT2ACHEK2
SCHEMBL11447699 0.86 LTA4H (0.61) LTA4H
Hydrochloric Acid SCHEMBL7494733 0.85 LTA4H (0.73) 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