SCHEMBL14965604

SCHEMBL14965604

O=C(O)N1CCC(CN2CCOc3nc([N+](=O)[O-])cn3CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.34
CHRM1 P11229 1/20 0.33
HTT P42858 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KCNH2 Q12809 3/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL14966146 0.91 CHRM1 (0.36) CHRM1ALDH1A1KCNH2LMNA
SCHEMBL14966080 0.86 ALDH1A1 (0.39) KDM4EALDH1A1KCNH2LMNAMAPT
SCHEMBL14965946 0.84 CYP1A2 (0.46) SIGMAR1
SCHEMBL14965376 0.84 CHRM1 (0.35) CHRM1SIGMAR1ALDH1A1KCNH2MAPT
SCHEMBL14965891 0.82 CHRM1 (0.36) CHRM1ALDH1A1KCNH2MAPT
SCHEMBL14965843 0.81 CHRM1 (0.48) CHRM1SMN1; SMN2KCNH2LMNA
SCHEMBL14965582 0.80 HSD17B10 (0.38) CHRM1ALDH1A1KCNH2LMNAMAPT
SCHEMBL14965586 0.79 EPHX2 (0.51) THRBCHRM1KCNH2MAPT
SCHEMBL14965275 0.79 ALDH1A1 (0.37) CHRM1ALDH1A1KCNH2LMNAMAPT
SCHEMBL14966212 0.79 HSD11B1 (0.44) CHRM1KDM4EALDH1A1KCNH2

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
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 WO claimed
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 WO disclosed