SCHEMBL6582896

SCHEMBL6582896

CCCCOC(=O)NN1CCCC(C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
POLB P06746 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
EPHX1 P07099 1/20 0.37
ACHE P22303 6/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5747211 0.86 SMN1; SMN2 (0.40) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL1383077 0.82 SMN1; SMN2 (0.50) MAPTPOLBKMT2ALMNAALDH1A1
SCHEMBL7841197 0.82 SMN1; SMN2 (0.47) MAPTPOLBKMT2ALMNAALDH1A1
SCHEMBL3010245 0.81 SMN1; SMN2 (0.52) MAPTPOLBKMT2ALMNAALDH1A1
SCHEMBL6167492 0.78 SMN1; SMN2 (0.36) MAPTPOLBKMT2ALMNAALDH1A1
SCHEMBL6167490 0.78 SMN1; SMN2 (0.36) MAPTPOLBKMT2ALMNAALDH1A1
SCHEMBL6313168 0.78 EPHX1 (0.37) MAPTPOLBKMT2ALMNASMN1; SMN2
SCHEMBL9057036 0.77 SMN1; SMN2 (0.41) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL3390388 0.77 SMN1; SMN2 (0.36) MAPTPOLBKMT2ALMNAALDH1A1
SCHEMBL3390391 0.77 SMN1; SMN2 (0.36) MAPTPOLBKMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453824-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS Wockhardt Limited (IN) 2004-09-08 EP disclosed
EP-1392677-A2 CHIRAL BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS Wockhardt Limited (IN) 2004-03-03 EP disclosed
WO-2003050107-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS WOCKHARDT LIMITED (IN) 2003-06-19 WO disclosed
WO-2002085886-A2 CHIRAL, BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS WOCKHARDT LIMITED (IN) 2002-10-31 WO disclosed