SCHEMBL5710652

SCHEMBL5710652

O=[N+]([O-])c1ccc(OC2CN3CCC2CC3)cc1.OC1CN2CCC1CC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LSS P48449 1/20 0.51
SIGMAR1 Q99720 1/20 0.41
CHRNA7 P36544 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GBA1 P04062 1/20 0.39

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
SCHEMBL5649311 0.92 LSS (0.54) MEN1KMT2ALSSSIGMAR1CHRNA7
Hydrochloric Acid SCHEMBL9469824 0.91 LSS (0.53) MEN1KMT2ALSSSIGMAR1CHRNA7
SCHEMBL1542730 0.88 LSS (0.51) MEN1KMT2ALSSSIGMAR1CHRNA7
SCHEMBL5419769 0.88 LSS (0.51) MEN1KMT2ALSSSIGMAR1CHRNA7
SCHEMBL1542442 0.88 LSS (0.51) MEN1KMT2ALSSSIGMAR1CHRNA7
SCHEMBL5710504 0.80 LSS (0.53) LSSCHRNA7
SCHEMBL5710328 0.80 LSS (0.53) LSSCHRNA7
SCHEMBL5706609 0.80 LSS (0.53) LSSCHRNA7
SCHEMBL5710323 0.80 LSS (0.53) LSSCHRNA7
SCHEMBL9469598 0.80 MEN1 (0.63) MEN1KMT2ALSS

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-1735305-A2 3-QUINUCLIDINYL HETEROATOM BRIDGED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2006-12-27 EP disclosed
WO-2005066167-A2 3-QUINUCLIDINYL HETEROATOM BRIDGED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2005-07-21 WO disclosed