SCHEMBL8440860

SCHEMBL8440860

OC1(N2CCC(c3cccc4c3OCCO4)CC2)CCc2ccc(C(F)(F)F)cc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.46
KDM1A O60341 1/20 0.38
TRPV1 Q8NER1 3/20 0.38
DRD2 P14416 3/20 0.37
HTR2A P28223 3/20 0.37
DRD3 P35462 3/20 0.37

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 0.87 HTR1A (0.57) HTR1A
SCHEMBL8439452 0.85 HTR1A (0.56) HTR1AKDM1ADRD2HTR2ADRD3
SCHEMBL8443738 0.85 HTR1A (0.53) HTR1A
SCHEMBL8443664 0.83 HTR1A (0.56) HTR1ADRD2HTR2ADRD3
SCHEMBL8440360 0.83 HTR1A (0.57) HTR1A
SCHEMBL8440115 0.81 HTR1A (0.57) HTR1AKDM1ADRD2HTR2ADRD3
SCHEMBL6964900 0.74 HTR1A (0.77) HTR1A
SCHEMBL6964904 0.74 HTR1A (0.77) HTR1A
SCHEMBL8440023 0.73 HTR1A (0.48) HTR1A
SCHEMBL8439326 0.72 HTR1A (0.58) HTR1A

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