SCHEMBL8035335

SCHEMBL8035335

C=CCCNCC=CCOc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.48
SRD5A2 P31213 2/20 0.43
MAOB P27338 1/20 0.43
KCNH2 Q12809 1/20 0.41
MAPT P10636 3/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
PLA2G4B P0C869 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9360246 0.85 LSS (0.46) LSSSRD5A2MAPTMEN1KMT2A
SCHEMBL8049755 0.84 LSS (0.46) LSSMAOBMAPTMEN1KMT2A
SCHEMBL8045307 0.84 LSS (0.46) LSSSRD5A2MAPTALDH1A1SMN1; SMN2
SCHEMBL8035630 0.84 LSS (0.60) LSSSRD5A2MAOBMAPTMEN1
SCHEMBL8046483 0.82 LSS (0.44) LSSMAPTMEN1KMT2AALDH1A1
SCHEMBL9361063 0.81 LSS (0.62) LSSSRD5A2KCNH2MAPTALDH1A1
SCHEMBL8052792 0.81 LSS (0.43) LSSSRD5A2MAOBMAPTMEN1
SCHEMBL9361166 0.78 SRD5A2 (0.52) LSSSRD5A2MAOBMAPT
SCHEMBL9361159 0.78 SRD5A2 (0.52) LSSSRD5A2MAOBMAPT
SCHEMBL8035331 0.77 LSS (0.72) LSSSRD5A2MAOBALDH1A1SMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP claimed
EP-0636367-A1 Use of phenylalkylamines for producing cholesterol lowering agents F. HOFFMANN-LA ROCHE AG (CH) 1995-02-01 EP claimed
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP disclosed
US-5637771-A Compound useful for lowering cholesterol HOFFMANN-LA ROCHE INC. (US) 1997-06-10 US disclosed
US-5574071-A ADMINISTERING PHENYLALKYLAMINO KETONES HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed
US-5495048-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
EP-0636367-A1 Use of phenylalkylamines for producing cholesterol lowering agents F. HOFFMANN-LA ROCHE AG (CH) 1995-02-01 EP disclosed
EP-0410359-B1 Substituted aminoalkoxy-benzene-derivatives HOFFMANN LA ROCHE (CH) 1994-01-26 EP disclosed
US-5214046-A Synergistic mixtures, inhibitors of sterol biosynthesis HOFFMANN-LA ROCHE INC. (US) 1993-05-25 US disclosed