SCHEMBL8439452

SCHEMBL8439452

OC1(N2CCC(c3cccc4c3OCCO4)CC2)CCc2cc(F)c(F)cc21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.56
KDM1A O60341 1/20 0.36
SLC6A4 P31645 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 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
SCHEMBL8439530 0.90 HTR1A (0.57) HTR1ASLC6A4
SCHEMBL8440360 0.89 HTR1A (0.57) HTR1ASLC6A4
SCHEMBL8443664 0.88 HTR1A (0.56) HTR1ADRD2HTR2ADRD3
SCHEMBL8443738 0.85 HTR1A (0.53) HTR1A
SCHEMBL8440860 0.85 HTR1A (0.46) HTR1AKDM1ADRD2HTR2ADRD3
SCHEMBL8440115 0.85 HTR1A (0.57) HTR1AKDM1ADRD2HTR2ADRD3
SCHEMBL8439326 0.78 HTR1A (0.58) HTR1ASLC6A4
SCHEMBL8441675 0.77 HTR1A (0.59) HTR1ASLC6A4
SCHEMBL8440473 0.76 HTR1A (0.43) HTR1ASLC6A4
SCHEMBL8443885 0.73 HTR1A (0.41) HTR1ASLC6A4DRD2

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-5958927-A PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1999-09-28 US disclosed