SCHEMBL8772748

SCHEMBL8772748

C=CCc1cc(/C(C)=N/OC)ccc1OCC1(O)CN2CCC1CC2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.37
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
PTPN1 P18031 2/20 0.32
HTT P42858 1/20 0.32
MMP2 P08253 2/20 0.31
MMP13 P45452 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 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
SCHEMBL8772751 1.00 FDFT1 (0.37) FDFT1CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL8772602 0.86 FDFT1 (0.42) FDFT1MAPTHTTALDH1A1LMNA
SCHEMBL8772588 0.83 PTGDR (0.39) FDFT1MAPTTDP1HTTMMP13
SCHEMBL9150829 0.82 FDFT1 (0.41) FDFT1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8772635 0.81 FDFT1 (0.46) FDFT1MMP13ALDH1A1LMNAKMT2A
SCHEMBL8772637 0.80 FDFT1 (0.38) FDFT1MAPTTDP1HTTALDH1A1
SCHEMBL8772603 0.80 FDFT1 (0.45) FDFT1MMP13ALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL8772650 0.80 FDFT1 (0.37) FDFT1MAPTTDP1HTTALDH1A1
SCHEMBL8772687 0.80 FDFT1 (0.37) FDFT1MAPTTDP1HTTALDH1A1
SCHEMBL8421904 0.79 MAPT (0.42) FDFT1MAPTTDP1POLBHTT

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-0654032-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1997-10-15 EP disclosed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 WO disclosed