SCHEMBL9767635

SCHEMBL9767635

CC(c1ccc2ccccc2c1)C1CC(c2cccc(C(F)(F)F)c2)=CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
SOS1 Q07889 1/20 0.34
PTPN5 P54829 2/20 0.34
SCN2A Q99250 1/20 0.33
PDE4B Q07343 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM1A O60341 1/20 0.32
PGR P06401 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
MAPK13 O15264 4/20 0.32
MAPK12 P53778 4/20 0.32
MAPK11 Q15759 4/20 0.32
MAPK14 Q16539 4/20 0.32
RAF1 P04049 3/20 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
SCHEMBL5120102 0.77 HTR2C (0.57) HTR2CSCN2AKDM1A
SCHEMBL9020731 0.75 HTR2C (0.52) HTR2CSCN2AKDM1APGR
SCHEMBL7100010 0.73 HTR2C (0.43) HTR2CSCN2A
Hydrochloric Acid SCHEMBL1742023 0.72 HTR2C (0.44) HTR2CSCN2A
SCHEMBL4845324 0.69 HTR2C (0.41) HTR2CSOS1ATM
SCHEMBL8067555 0.69 HTR2C (0.43) HTR2CAKR1C3AKR1C2SCN2AMAPK13
SCHEMBL8541203 0.68 HTR2C (0.42) HTR2CATM
SCHEMBL7435086 0.68 HTR2C (0.49) HTR2CSCN2A
SCHEMBL9618625 0.67 PPARG (0.45) HTR2C
Hydrochloric Acid SCHEMBL9423232 0.67 PPARG (0.44) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026716-A Method of treatment of anxiety and anxio-depressive disorders SANOFI (FR) 1991-06-25 US disclosed