SCHEMBL7704520

SCHEMBL7704520

CC(C)Oc1ccccc1OCCNCc1cccc(OC2C=CCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.61
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR6 P50406 4/20 0.37
BCHE P06276 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 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
SCHEMBL6566542 0.88 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BNPSR1
SCHEMBL7700763 0.88 HTR1A (0.70) HTR1AADRA1DADRA1AADRA1BNPSR1
SCHEMBL7703235 0.80 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BNPSR1
SCHEMBL6567496 0.80 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BNPSR1
SCHEMBL7704555 0.80 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL7698829 0.79 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BNPSR1
SCHEMBL7704512 0.79 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BNPSR1
SCHEMBL7701022 0.78 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BNPSR1
SCHEMBL6565627 0.77 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL6566523 0.77 HTR1A (0.54) HTR1AKDM4ELMNAHTR6DRD4

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