SCHEMBL6566523

SCHEMBL6566523

CC(C)c1ccccc1OCCNCc1cccc(OC2CCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.54
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR6 P50406 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
DRD4 P21917 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 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
SCHEMBL6566542 0.88 HTR1A (0.71) HTR1AALDH1A1LMNADRD4KDM4E
SCHEMBL7700763 0.87 HTR1A (0.70) HTR1AMEN1KMT2AL3MBTL1HTR6
SCHEMBL7703235 0.81 HTR1A (0.60) HTR1AMEN1RECQLKMT2AALDH1A1
SCHEMBL6567496 0.81 HTR1A (0.60) HTR1AMEN1RECQLKMT2AKDM4E
SCHEMBL7704555 0.81 HTR1A (0.59) HTR1AMEN1RECQLKMT2AALDH1A1
SCHEMBL7704512 0.79 HTR1A (0.57) HTR1AMEN1RECQLKMT2AHTR6
SCHEMBL7698829 0.79 HTR1A (0.57) HTR1AMEN1RECQLKMT2AL3MBTL1
SCHEMBL6565627 0.78 HTR1A (0.55) HTR1AMEN1RECQLKMT2AALDH1A1
SCHEMBL6565630 0.77 HTR1A (0.55) HTR1AMEN1RECQLKMT2AL3MBTL1
SCHEMBL7701352 0.77 HTR1A (0.55) HTR1ARECQLALDH1A1KDM4ETSHR

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-1135360-B1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PF MEDICAMENT (FR) 2004-03-31 EP claimed
US-6350913-B1 AROMATIC AMINE COMPOUNDS PIERRE FABRE MEDICAMENT (FR) 2002-02-26 US claimed
EP-1135360-A1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-09-26 EP claimed
WO-2000032557-A1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2000-06-08 WO claimed