SCHEMBL6052248

SCHEMBL6052248

Nc1ccc(N2CCC(N3CCOCC3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 2/20 0.45
NOTUM Q6P988 2/20 0.44
HTT P42858 1/20 0.42
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
CYP2C9 P11712 1/20 0.40
PIK3CA P42336 5/20 0.39
AKR1C3 P42330 1/20 0.39
MTOR P42345 4/20 0.39
PIK3CD O00329 1/20 0.39
PIK3C2B O00750 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL10157709 0.88 MAPT (0.47) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL4937299 0.87 MAPT (0.46) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL31210319 0.86 MAPT (0.61) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL1929073 0.86 MAPT (0.61) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL10036255 0.86 ALDH1A1 (0.56) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL2780369 0.85 MAPT (0.55) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL282776 0.85 NR1H2 (0.49) MAPTSMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL29649928 0.85 NR1H2 (0.49) MAPTSMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL12581646 0.83 MAPT (0.52) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL17450416 0.83 ALDH1A1 (0.54) MAPTSMN1; SMN2GAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP disclosed