SCHEMBL5223439

SCHEMBL5223439

CC1CN(CC(O)COc2ccccc2F)CCN1C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.44
ABCB1 P08183 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL5222965 0.80 MEN1 (0.50) MEN1KMT2ALMNASMN1; SMN2NPY1R
SCHEMBL4865310 0.78 MEN1 (0.56) MEN1KMT2ALMNASMN1; SMN2NPY1R
SCHEMBL4866968 0.78 MEN1 (0.50) MEN1KMT2ALMNASMN1; SMN2NPY1R
SCHEMBL4857823 0.73 ALDH1A1 (0.55) MEN1KMT2ALMNASMN1; SMN2USP2
SCHEMBL4857993 0.72 ALDH1A1 (0.54) LMNATSHRALDH1A1ABCB1
SCHEMBL5901643 0.72 POLB (0.70) MEN1KMT2ALMNASMN1; SMN2USP2
SCHEMBL5995987 0.72 POLB (0.70) MEN1KMT2ALMNASMN1; SMN2USP2
SCHEMBL5222655 0.72 MEN1 (0.46) MEN1KMT2AUSP2HTTMAPT
SCHEMBL6771057 0.71 MEN1 (0.59) MEN1KMT2ALMNATSHRALDH1A1
SCHEMBL11372250 0.71 MEN1 (0.55) MEN1KMT2ALMNASMN1; SMN2USP2

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-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed