SCHEMBL7704555

SCHEMBL7704555

CC(C)Oc1ccc(OC(C)C)c(OCCNCc2cccc(OC3CCCC3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.59
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
HDAC4 P56524 1/20 0.38
EP300 Q09472 1/20 0.38
MEF2D Q14814 1/20 0.38
SCN8A Q9UQD0 1/20 0.38

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
SCHEMBL7704512 0.94 HTR1A (0.57) HTR1AALDH1A1KDM4ERECQLADRA1D
SCHEMBL6566542 0.91 HTR1A (0.71) HTR1AALDH1A1KDM4ETSHRADRA1D
SCHEMBL7703235 0.90 HTR1A (0.60) HTR1AALDH1A1KDM4ETSHRRECQL
SCHEMBL7698829 0.90 HTR1A (0.57) HTR1AALDH1A1KDM4ETSHRRECQL
SCHEMBL7700763 0.90 HTR1A (0.70) HTR1AALDH1A1KDM4EADRA1DADRA1A
SCHEMBL6565577 0.89 HTR1A (0.54) HTR1AALDH1A1KDM4ERECQLADRA1D
SCHEMBL6565627 0.89 HTR1A (0.55) HTR1AALDH1A1KDM4ETSHRRECQL
SCHEMBL7701352 0.88 HTR1A (0.55) HTR1AALDH1A1KDM4ETSHRRECQL
SCHEMBL6565630 0.88 HTR1A (0.55) HTR1AALDH1A1KDM4ETSHRRECQL
SCHEMBL6564443 0.88 HTR1A (0.52) HTR1AALDH1A1ADRA1DADRA1AADRA1B

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