SCHEMBL11117435

SCHEMBL11117435

O=C(Cc1ccc(OCc2ccccc2)cc1)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
FAAH O00519 1/20 0.66
ALDH1A1 P00352 4/20 0.59
GAA P10253 2/20 0.59
USP2 O75604 1/20 0.59
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 1/20 0.57
EGFR P00533 2/20 0.57
KMT2A Q03164 3/20 0.56
GPR183 P32249 2/20 0.56
MEN1 O00255 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
FKBP1A P62942 2/20 0.55

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
SCHEMBL1516144 0.86 MAPT (0.82) MAPTALDH1A1GAAUSP2SMN1; SMN2
Hydrochloric Acid SCHEMBL68316 0.84 MAPT (0.79) MAPTALDH1A1GAAUSP2SMN1; SMN2
SCHEMBL5648270 0.83 KMT2A (0.68) MAPTALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL8802892 0.82 ALDH1A1 (0.48) MAPTFAAHALDH1A1HPGDSMN1; SMN2
SCHEMBL6578765 0.81 FAAH (0.62) MAPTFAAHALDH1A1GAAHPGD
SCHEMBL27965232 0.81 ALDH1A1 (0.66) MAPTFAAHALDH1A1GAAUSP2
SCHEMBL19380613 0.80 MAPT (1.00) MAPTFAAHSMN1; SMN2KMT2AFKBP1A
SCHEMBL13234921 0.80 MAPT (0.71) MAPTFAAHALDH1A1GAAHPGD
SCHEMBL19612588 0.80 FAAH (1.00) FAAH
SCHEMBL31499420 0.79 SMN1; SMN2 (0.79) MAPTALDH1A1GAAHPGDSMN1; SMN2

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-0115413-A1 +/- 2-(Phenethyl)-5-((3,4-methylenedioxy)-alpha-hydroxybenzyl)-pyrrolidines, pharmaceutical compositions containing them, processes for their production and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1984-08-08 EP disclosed