SCHEMBL27378484

SCHEMBL27378484

C=CCOC(=O)C(N)CCI

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
CYP3A4 P08684 1/20 0.35
TSHR P16473 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL7950462 0.82 TDP1 (0.39) TDP1MAPTCACNA1BAPBA1CYP3A4
SCHEMBL3808776 0.81 TDP1 (0.38) TDP1MAPTCACNA1BAPBA1CYP3A4
SCHEMBL16703744 0.81 TDP1 (0.38) TDP1MAPTCACNA1BAPBA1CYP3A4
SCHEMBL5203643 0.79 GSR (0.42) TDP1MAPTCACNA1BAPBA1CYP3A4
SCHEMBL176230 0.79 CYP2D6 (0.50) TDP1MAPTCACNA1BAPBA1TSHR
SCHEMBL3968417 0.79 TSHR (0.47) TDP1MAPTCACNA1BAPBA1CYP3A4
SCHEMBL795492 0.79 KMT2A (0.48) TDP1MAPTCACNA1BAPBA1CYP3A4
SCHEMBL176227 0.79 TSHR (0.47) TDP1MAPTCACNA1BAPBA1CYP3A4
SCHEMBL2518196 0.79 CYP2D6 (0.50) TDP1MAPTCACNA1BAPBA1TSHR
SCHEMBL2519974 0.79 KMT2A (0.48) TDP1MAPTCACNA1BAPBA1CYP3A4

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
CN-1082547-A Azabicyclic compounds FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 CN disclosed