SCHEMBL7769552

SCHEMBL7769552

OCC1=Cc2ccccc2Oc2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.41
AHR P35869 2/20 0.38
MAPK1 P28482 1/20 0.35
NPC1 O15118 2/20 0.34
NFKB1 P19838 2/20 0.34
RAB9A P51151 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAOA P21397 1/20 0.32

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
SCHEMBL7770728 0.85 DRD2 (0.43) MAPTDRD2DRD4TP53CYP1A2
SCHEMBL6685325 0.82 DRD2 (0.44) MAPTDRD2DRD4TP53CYP1A2
SCHEMBL5953744 0.79 DRD2 (0.46) MAPTDRD2DRD4TP53CYP1A2
Hydrochloric Acid SCHEMBL9056544 0.78 DRD2 (0.46) MAPTDRD2DRD4TP53CYP1A2
SCHEMBL4038906 0.75 LMNA (0.71) MAPTDRD2DRD4TP53CYP1A2
SCHEMBL5953640 0.75 PYCR1 (0.45) MAPTDRD2DRD4TP53CYP1A2
SCHEMBL7770745 0.72 LMNA (0.46) MAPTDRD2DRD4TP53CYP1A2
SCHEMBL9949394 0.72 MAPT (0.48) MAPTDRD2DRD4TP53CYP1A2
SCHEMBL1842504 0.71 DRD2 (0.56) MAPTDRD2DRD4TP53CYP1A2
SCHEMBL5953153 0.70 DRD2 (0.52) MAPTDRD2DRD4TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726265-B1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity NOVARTIS AG (CH) 2001-07-25 EP disclosed
EP-0726265-A1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity CIBA-GEIGY AG (CH) 1996-08-14 EP disclosed