SCHEMBL18569445

SCHEMBL18569445

CN(F)c1ccccc1CCO

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.45
TAAR1 Q96RJ0 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
AOC3 Q16853 3/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 3/20 0.31
TSHR P16473 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR1A P08908 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL249636 0.83 PTPN1 (0.47) PTPN1TAAR1TDP1SLC6A2SLC6A4
SCHEMBL28291937 0.77 PTPN1 (0.47) PTPN1TDP1TP53KDM4E
SCHEMBL28924349 0.74 PTPN1 (0.48) PTPN1TDP1ALDH1A1TP53SMN1; SMN2
SCHEMBL28339089 0.74 TDP1 (0.45) PTPN1TAAR1TDP1AOC3ALDH1A1
SCHEMBL3864995 0.73 MEN1 (0.46) PTPN1TAAR1TDP1ALDH1A1GAA
SCHEMBL31203 0.72 TDP1 (0.55) PTPN1TAAR1TDP1ALDH1A1TSHR
SCHEMBL29534868 0.72 TDP1 (0.55) PTPN1TAAR1TDP1ALDH1A1TSHR
SCHEMBL8676051 0.72 GAA (0.39) PTPN1SLC6A2SLC6A4ALDH1A1TSHR
SCHEMBL8966732 0.72 PTPN1 (0.44) PTPN1TDP1SMN1; SMN2HTR1A
SCHEMBL14135416 0.72 PTPN1 (0.45) PTPN1TAAR1AOC3SLC6A2SLC6A4

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
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed