SCHEMBL7701352

SCHEMBL7701352

C=Cc1ccc(OC(C)C)c(OCCNCc2cccc(OC3CCCC3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.55
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
RECQL P46063 1/20 0.37
HDAC4 P56524 2/20 0.37
MEF2D Q14814 2/20 0.37
EP300 Q09472 1/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SCN8A Q9UQD0 1/20 0.35

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
SCHEMBL7704555 0.88 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BRECQL
SCHEMBL6566542 0.87 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL6565627 0.86 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BRECQL
SCHEMBL7704512 0.86 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BRECQL
SCHEMBL7703235 0.86 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BRECQL
SCHEMBL7698829 0.86 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BRECQL
SCHEMBL7700763 0.86 HTR1A (0.70) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL6565630 0.84 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BRECQL
SCHEMBL6565577 0.83 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BRECQL
SCHEMBL6567496 0.83 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BRECQL

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