SCHEMBL8699166

SCHEMBL8699166

CN(CCOc1cccc(Cl)c1C=O)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
ATM Q13315 3/20 0.51
HTR6 P50406 1/20 0.50
LMNA P02545 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8705093 0.83 HTR1D (0.53) HTR1DHTR1BATMHTR6LMNA
SCHEMBL8487152 0.81 HTR1D (0.62) HTR1DHTR1BATMHTR6LMNA
SCHEMBL8392079 0.80 HTR1D (0.60) HTR1DHTR1BATMHTR6LMNA
SCHEMBL8392132 0.79 HTR1D (0.59) HTR1DHTR1BATMHTR6LMNA
Hydrochloric Acid SCHEMBL8743607 0.79 HTR1D (0.59) HTR1DHTR1BATMHTR6LMNA
SCHEMBL8389644 0.78 HTR1D (0.57) HTR1DHTR1BATMHTR6LMNA
SCHEMBL8393097 0.78 GAA (0.61) HTR1DHTR1BATMLMNAKDM4E
SCHEMBL4611512 0.77 NPC1 (0.57) MAPTMAPK1L3MBTL1SMN1; SMN2MEN1
SCHEMBL8699161 0.75 RAB9A (0.40) ATMLMNAKDM4EMAPTTSHR
SCHEMBL11394252 0.75 LMNA (0.66) HTR1DHTR1BATMLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5736568-A ANTIALLERGENS; IMMUNOMODULANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-04-07 US disclosed
EP-0750607-A1 2-(AMINOALKOXY)PHENYLALKYLAMINES WITH ANTIINFLAMMATORY ACTIVITY Knoll AG (DE) 1997-01-02 EP disclosed
WO-1995023127-A1 2-(AMINOALKOXY)PHENYLALKYLAMINES WITH ANTIINFLAMMATORY ACTIVITY KNOLL AG (DE) 1995-08-31 WO disclosed