SCHEMBL7103843

SCHEMBL7103843

COc1cc(N)ccc1N1CC(N)C(O)C1.Nc1ccc(N2CC(N)C(O)C2)c(CCO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.39
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
CYP19A1 P11511 4/20 0.33
DRD2 P14416 2/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
MCHR1 Q99705 1/20 0.31
ACACB O00763 5/20 0.31
ALDH1A3 P47895 1/20 0.31
NQO2 P16083 1/20 0.31
TACR1 P25103 1/20 0.31
HSD11B1 P28845 1/20 0.30
DRD4 P21917 1/20 0.30
HRH1 P35367 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
SCHEMBL6706981 0.89 GBA1 (0.33) MAPTHTTALDH1A1KDM4E
SCHEMBL6708790 0.88 NR4A1 (0.48) NR4A1MAPTGAATSHRMAPK1
SCHEMBL6707096 0.82 GBA1 (0.35) NR4A1MAPTGAAHTTALDH1A1
SCHEMBL6712196 0.82 ACHE (0.33) NR4A1MAPTGAAHTTALDH1A1
SCHEMBL2170553 0.80 NR4A1 (0.53) NR4A1MAPTGAATSHRMAPK1
SCHEMBL2170546 0.80 NR4A1 (0.53) NR4A1MAPTGAATSHRMAPK1
SCHEMBL6707008 0.79 NR4A1 (0.54) NR4A1MAPTGAATSHRMAPK1
SCHEMBL6710429 0.75 HRH4 (0.40) GAAHTTALDH1A1
SCHEMBL6710412 0.75 NR4A1 (0.40) NR4A1MAPTGAATSHRMAPK1
SCHEMBL13723512 0.75 NR4A1 (0.53) NR4A1MAPTGAATSHRMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341510-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 3 AND 4, AND DYEING METHOD USING SAME L'OREAL (FR) 2003-09-10 EP claimed
WO-2002045671-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 3 AND 4, AND DYEING METHOD USING SAME L'OREAL (FR) 2002-06-13 WO claimed