SCHEMBL7448799

SCHEMBL7448799

CC(C)(c1ccccc1)c1ccc(OCCC2CCCCN2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LTA4H P09960 10/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB2 P49721 1/20 0.45

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
SCHEMBL7444871 0.89 LTA4H (0.56) MEN1KMT2ALTA4HPSMB1PSMB5
SCHEMBL7445359 0.89 LTA4H (0.56) MEN1KMT2ALTA4HPSMB1PSMB5
SCHEMBL7444811 0.88 LTA4H (0.45) MEN1KMT2ALTA4HSMN1; SMN2ALDH1A1
SCHEMBL23474908 0.87 LTA4H (0.52) MEN1KMT2ALTA4HALDH1A1
SCHEMBL23474877 0.87 LTA4H (0.52) MEN1KMT2ALTA4HALDH1A1
SCHEMBL13761573 0.87 LTA4H (0.52) MEN1KMT2ALTA4HALDH1A1
SCHEMBL4965391 0.85 LTA4H (0.64) KMT2ALTA4H
SCHEMBL7335832 0.83 LTA4H (0.74) LTA4H
SCHEMBL7116280 0.82 LTA4H (0.70) LTA4H
Hydrochloric Acid SCHEMBL7334091 0.82 LTA4H (0.72) KMT2ALTA4H

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