SCHEMBL7703235

SCHEMBL7703235

CC(C)Oc1ccc(F)cc1OCCNCc1cccc(OC2CCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.60
ADRA1D P25100 2/20 0.45
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
KCNH2 Q12809 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6567496 0.96 HTR1A (0.60) HTR1AADRA1DKDM4ESMN1; SMN2ADRA1A
SCHEMBL6566542 0.91 HTR1A (0.71) HTR1AADRA1DKDM4EADRA1AADRA1B
SCHEMBL7704555 0.90 HTR1A (0.59) HTR1AADRA1DKDM4EADRA1AADRA1B
SCHEMBL7700763 0.90 HTR1A (0.70) HTR1AADRA1DKDM4EADRA1AADRA1B
SCHEMBL7698829 0.89 HTR1A (0.57) HTR1AADRA1DKDM4ESMN1; SMN2ADRA1A
SCHEMBL7704512 0.89 HTR1A (0.57) HTR1AADRA1DKDM4EADRA1AADRA1B
SCHEMBL6565627 0.87 HTR1A (0.55) HTR1AADRA1DKDM4EADRA1AADRA1B
SCHEMBL6565630 0.86 HTR1A (0.55) HTR1AADRA1DKDM4ESMN1; SMN2ADRA1A
SCHEMBL7701352 0.86 HTR1A (0.55) HTR1AADRA1DKDM4EADRA1AADRA1B
SCHEMBL6565577 0.85 HTR1A (0.54) HTR1AADRA1DKDM4EADRA1AADRA1B

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-6350913-B1 AROMATIC AMINE COMPOUNDS PIERRE FABRE MEDICAMENT (FR) 2002-02-26 US claimed