SCHEMBL4627729

SCHEMBL4627729

CN(C)C(CO)C1CCN(c2ccc(N)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
GFER P55789 4/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAD52 P43351 1/20 0.41
ACACB O00763 6/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 2/20 0.37
ADRA2C P18825 1/20 0.37
PTK2B Q14289 1/20 0.37
ESR2 Q92731 1/20 0.37
MCHR1 Q99705 1/20 0.36
CASP6 P55212 1/20 0.36
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35

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
Hydrochloric Acid SCHEMBL5924751 0.99 MAPT (0.40) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL2271837 0.89 MAPT (0.43) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL2272327 0.88 MAPT (0.42) MAPTGFERKDM4EGAASMN1; SMN2
Iodide SCHEMBL2537438 0.88 MAPT (0.42) MAPTGFERKDM4EGAASMN1; SMN2
Bromide SCHEMBL2538004 0.88 MAPT (0.42) MAPTGFERKDM4EGAASMN1; SMN2
Iodide SCHEMBL2542803 0.86 MAPT (0.41) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL2267720 0.85 DPP4 (0.40) MAPTGFERKDM4EGAASMN1; SMN2
Iodide SCHEMBL2542712 0.84 DPP4 (0.40) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL2266686 0.84 GRM2 (0.41) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL2269580 0.83 GRM2 (0.43) MAPTGFERKDM4EGAASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1428515-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a surfactant; methods and uses OREAL (FR) 2008-07-02 EP disclosed
EP-1428514-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, a tertiary paraphenylenediamine and a benzomorpholine coupler; method and use OREAL (FR) 2007-09-19 EP disclosed