SCHEMBL8893211

SCHEMBL8893211

Fc1ccccc1C(OCCN1C=CC=CC1)c1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
SLC6A3 Q01959 8/20 0.33
SLC6A4 P31645 7/20 0.33
SLC6A2 P23975 5/20 0.33
CHRNA7 P36544 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 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
SCHEMBL8892302 0.79 SIGMAR1 (0.51) SLC6A3SLC6A4SLC6A2SIGMAR1MEN1
SCHEMBL8892312 0.74 CHRNA7 (0.58) SLC6A3SLC6A4SLC6A2CHRNA7SIGMAR1
SCHEMBL8893433 0.74 CHRNA7 (0.55) SLC6A3SLC6A4SLC6A2CHRNA7SIGMAR1
SCHEMBL8892798 0.72 CHRNA7 (0.60) SLC6A3SLC6A4SLC6A2CHRNA7SIGMAR1
SCHEMBL27446886 0.66 ALDH1A1 (0.47) MEN1ALDH1A1LMNAKMT2ANPC1
SCHEMBL8511596 0.65 SMN1; SMN2 (0.54) SLC6A3SLC6A2CHRNA7MEN1ALDH1A1
SCHEMBL18231721 0.65 ALDH1A1 (0.34) ALDH1A1
SCHEMBL27379191 0.64 MAOA (0.46) SLC6A3SIGMAR1MEN1KMT2ASMN1; SMN2
SCHEMBL8511595 0.64 ALDH1A1 (0.54) MEN1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL7137961 0.63 LTA4H (0.55) LMNA

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
WO-1997027175-A1 SUBSTITUTED ETHYL α,α - DIARYLMETHYL ETHER DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1997-07-31 WO claimed