SCHEMBL9150823

SCHEMBL9150823

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.35
MAPT P10636 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL8421904 0.79 MAPT (0.42) FDFT1MAPTTDP1POLBHTT
Hydrochloric Acid SCHEMBL8772602 0.79 FDFT1 (0.42) FDFT1MAPTHTTMEN1ALDH1A1
SCHEMBL8423284 0.78 FDFT1 (0.41) FDFT1CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL8421585 0.78 FDFT1 (0.41) FDFT1MAPTTDP1CHRM2CHRM4
SCHEMBL8421714 0.78 MAPT (0.42) FDFT1MAPTTDP1POLBHTT
SCHEMBL9150829 0.78 FDFT1 (0.41) FDFT1MAPTCHRM2CHRM4CHRM5
SCHEMBL8772751 0.77 FDFT1 (0.37) FDFT1MAPTTDP1CHRM2CHRM4
SCHEMBL8772748 0.77 FDFT1 (0.37) FDFT1MAPTTDP1CHRM2CHRM4
SCHEMBL8422017 0.77 FDFT1 (0.39) FDFT1MAPTTDP1CHRM2CHRM4
SCHEMBL8772704 0.77 FDFT1 (0.37) FDFT1CHRM2CHRM4CHRM5CHRM1

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
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 EP disclosed