SCHEMBL8925446

SCHEMBL8925446

CN1CCN(CC(O)c2[c]cccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
KDM4E B2RXH2 4/20 0.41
GLA P06280 1/20 0.41
IGF1R P08069 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTR1A P08908 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL18390275 0.74 GAA (0.60) GAAKDM4EGLAIGF1RALDH1A1
SCHEMBL8923742 0.71 CYP2D6 (0.32) KDM4E
SCHEMBL352281 0.70 GAA (1.00) GAAKDM4EIGF1RALDH1A1MEN1
SCHEMBL18390276 0.70 GAA (0.68) GAAKDM4EALDH1A1LMNAMEN1
SCHEMBL8924736 0.69 TSHR (0.39) KDM4EALDH1A1LMNAHTR1A
SCHEMBL4071515 0.67
SCHEMBL4070702 0.67
SCHEMBL4072954 0.67
SCHEMBL31341343 0.67 GAA (0.90) GAAKDM4EIGF1RALDH1A1MEN1
SCHEMBL2066587 0.65 HTR3A (0.42) GAAGLAMEN1KMT2A

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
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed