SCHEMBL7704512

SCHEMBL7704512

COc1ccc(OC(C)C)c(OCCNCc2cccc(OC3CCCC3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.57
ALDH1A1 P00352 2/20 0.47
SCN8A Q9UQD0 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
CHRM2 P08172 1/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR6 P50406 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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 0.94 HTR1A (0.59) HTR1AALDH1A1SCN8ARECQLKDM4E
SCHEMBL6566542 0.89 HTR1A (0.71) HTR1AALDH1A1NPSR1KDM4EADRA1D
SCHEMBL7698829 0.89 HTR1A (0.57) HTR1AALDH1A1NPSR1RECQLKDM4E
SCHEMBL7703235 0.89 HTR1A (0.60) HTR1AALDH1A1SCN8ANPSR1RECQL
SCHEMBL7700763 0.88 HTR1A (0.70) HTR1AALDH1A1NPSR1KDM4EMEN1
SCHEMBL6565627 0.87 HTR1A (0.55) HTR1AALDH1A1RECQLKDM4EMEN1
SCHEMBL6565630 0.86 HTR1A (0.55) HTR1AALDH1A1NPSR1RECQLKDM4E
SCHEMBL7701352 0.86 HTR1A (0.55) HTR1AALDH1A1SCN8ARECQLKDM4E
SCHEMBL6565577 0.85 HTR1A (0.54) HTR1AALDH1A1RECQLKDM4EMEN1
SCHEMBL6567496 0.85 HTR1A (0.60) HTR1ASCN8ANPSR1RECQLKDM4E

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