SCHEMBL8443885

SCHEMBL8443885

OC1(c2cccc3c2OCCO3)CCN(C2(O)CCc3cc(F)ccc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.41
PKLR P30613 1/20 0.36
SLC6A4 P31645 3/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
DRD2 P14416 2/20 0.33
P2RX7 Q99572 1/20 0.32

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
SCHEMBL8440360 0.85 HTR1A (0.57) HTR1ASLC6A4
SCHEMBL8439359 0.84 HTR1A (0.55) HTR1ADRD2
SCHEMBL8440322 0.79 HTR1A (0.56) HTR1ASLC6A4CTNNB1WNT3A
SCHEMBL8439530 0.78 HTR1A (0.57) HTR1ASLC6A4
SCHEMBL8439326 0.76 HTR1A (0.58) HTR1ASLC6A4
SCHEMBL8440473 0.75 HTR1A (0.43) HTR1ASLC6A4P2RX7
SCHEMBL6959319 0.75 HTR1A (0.69) HTR1A
SCHEMBL6959323 0.75 HTR1A (0.69) HTR1A
SCHEMBL8439452 0.73 HTR1A (0.56) HTR1ASLC6A4DRD2
SCHEMBL8441075 0.73 HTR1A (0.57) HTR1ADRD2

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