SCHEMBL5647829

SCHEMBL5647829

CC(C)Oc1ccccc1OCCNCc1cccc(C2CCCCN2C=O)c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.70
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR6 P50406 5/20 0.38
HTR7 P34969 1/20 0.36

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
SCHEMBL1473277 0.87 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1B
SCHEMBL1473380 0.81 HTR1A (0.45) HTR1A
SCHEMBL1471527 0.78 HTR1A (0.75) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL1473255 0.77 HTR1A (0.39) HTR1A
SCHEMBL1471529 0.76 HTR1A (0.64) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL6566542 0.75 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL7700763 0.74 HTR1A (0.70) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL1473252 0.74 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL1471583 0.73 HTR1A (0.35) HTR1ALMNA
SCHEMBL1470711 0.72 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BLMNA

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-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US claimed