SCHEMBL2275286

SCHEMBL2275286

CCCCOC(=O)N1CCN(c2ccccc2C(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
GAA P10253 3/20 0.55
ENPP2 Q13822 3/20 0.52
ALDH1A1 P00352 5/20 0.51
MAPT P10636 3/20 0.51
BCHE P06276 1/20 0.48
TSHR P16473 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 3/20 0.47
POLB P06746 1/20 0.47
MYC P01106 1/20 0.46
NPC1 O15118 2/20 0.46
MAPK1 P28482 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 1/20 0.45
HRH2 P25021 1/20 0.44

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
SCHEMBL16993891 0.84 GAA (0.56) SMN1; SMN2GAAALDH1A1MAPTBCHE
SCHEMBL1459682 0.83 MAPT (0.57) SMN1; SMN2GAAALDH1A1MAPTTSHR
SCHEMBL2226706 0.82 GAA (0.55) SMN1; SMN2GAAALDH1A1MAPTBCHE
SCHEMBL7832611 0.81 GAA (0.54) SMN1; SMN2GAAALDH1A1MAPTBCHE
SCHEMBL7243129 0.81 KMT2A (0.53) SMN1; SMN2GAAALDH1A1MAPTLMNA
SCHEMBL30070503 0.81 MEN1 (0.57) SMN1; SMN2GAAENPP2ALDH1A1MAPT
SCHEMBL8879964 0.80 SMN1; SMN2 (0.52) SMN1; SMN2GAAALDH1A1MAPTBCHE
SCHEMBL28057844 0.80 MAPT (0.56) SMN1; SMN2GAAALDH1A1MAPTTSHR
SCHEMBL28826843 0.80 MAPT (0.57) SMN1; SMN2GAAENPP2ALDH1A1MAPT
SCHEMBL27955987 0.79 MAPT (0.53) SMN1; SMN2GAAALDH1A1MAPTBCHE

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-2523945-A1 1 - (2 - PHENOXYMETHYLPHENYL) PIPERAZINE COMPOUNDS AS SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS Theravance, Inc. (US) 2012-11-21 EP disclosed
WO-2011085291-A1 1 - (2 - PHENOXYMETHYLPHENYL) PIPERAZINE COMPOUNDS AS SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2011-07-14 WO disclosed