SCHEMBL2593071

SCHEMBL2593071

CCOC(=O)CC(=O)CNCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.46
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CHRM2 P08172 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
SCHEMBL75805 0.90 ALDH1A1 (0.56) ALDH1A1MAPTPOLBTDP1RAB9A
SCHEMBL30700389 0.90 ALDH1A1 (0.56) ALDH1A1MAPTPOLBTDP1RAB9A
Hydrochloric Acid SCHEMBL5434602 0.89 ALDH1A1 (0.55) ALDH1A1MAPTPOLBTDP1RAB9A
SCHEMBL29832698 0.82 SMN1; SMN2 (0.62) ALDH1A1POLBTDP1RAB9ASMN1; SMN2
SCHEMBL22612137 0.82 CHRM2 (0.51) ALDH1A1MAPTPOLBTDP1RAB9A
SCHEMBL7712013 0.81 MAPT (0.60) ALDH1A1MAPTPOLBTDP1RAB9A
SCHEMBL31215205 0.81 MAPT (0.60) ALDH1A1MAPTPOLBTDP1RAB9A
SCHEMBL22747356 0.80 ALDH1A1 (0.52) ALDH1A1MAPTPOLBTDP1RAB9A
Hydrochloric Acid SCHEMBL16585744 0.79 SMN1; SMN2 (0.54) ALDH1A1MAPTPOLBTDP1RAB9A
SCHEMBL31215234 0.78 PPID (0.64) ALDH1A1RAB9ASMN1; SMN2ALOX15L3MBTL1

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
WO-2011138266-A1 INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed