SCHEMBL6566542

SCHEMBL6566542

CC(C)Oc1ccccc1OCCNCc1cccc(OC2CCCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.71
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
NPSR1 Q6W5P4 1/20 0.45
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.40
DRD4 P21917 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL7700763 0.99 HTR1A (0.70) HTR1AADRA1DADRA1AADRA1BNPSR1
SCHEMBL6567496 0.91 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BNPSR1
SCHEMBL7703235 0.91 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BNPSR1
SCHEMBL7704555 0.91 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BPDE4A
SCHEMBL7704512 0.89 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BNPSR1
SCHEMBL7698829 0.89 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BNPSR1
SCHEMBL7704520 0.88 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BNPSR1
SCHEMBL6565627 0.88 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BPDE4A
SCHEMBL6566523 0.88 HTR1A (0.54) HTR1AKDM4ELMNAALDH1A1DRD4
SCHEMBL6565630 0.87 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BNPSR1

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 5 patents. 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
EP-1135360-B1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PF MEDICAMENT (FR) 2004-03-31 EP disclosed
US-6350913-B1 AROMATIC AMINE COMPOUNDS PIERRE FABRE MEDICAMENT (FR) 2002-02-26 US disclosed
EP-1135360-A1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-09-26 EP disclosed
WO-2000032557-A1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2000-06-08 WO disclosed