SCHEMBL8406965

SCHEMBL8406965

CCN(CC)C(O)Cc1cccc2ccoc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.37
KCNH2 Q12809 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL20354322 0.75 GABRA1 (0.48) EEDKCNH2HTR2AHTR2C
SCHEMBL2610674 0.75 GABRA1 (0.46) EEDKCNH2HTR2AHTR2C
SCHEMBL16815738 0.72 CYP1A2 (0.44) EEDHTR2AHTR2CCYP1A2KMT2A
SCHEMBL5988407 0.72 HTR2A (0.44) EEDHTR2AHTR2C
SCHEMBL30684489 0.72 HTR2A (0.44) EEDHTR2AHTR2C
SCHEMBL8402802 0.72 MEN1 (0.35) MEN1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL3794977 0.72 EED (0.43) EEDKCNH2HTR2AHTR2C
SCHEMBL8406962 0.72 MEN1 (0.33) MEN1NPC1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5986131 0.71 HTR2A (0.43) HTR2AHTR2C
SCHEMBL6679464 0.71 EED (0.45) EEDKCNH2HTR2AHTR2C

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-0923567-A1 BENZYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SYNTHELABO (FR) 1999-06-23 EP disclosed
WO-1998008834-A1 BENZYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SYNTHELABO (FR) 1998-03-05 WO disclosed