SCHEMBL9150829

SCHEMBL9150829

C=CCc1cc(CC=NOC)ccc1OCC1(O)CN2CCC1CC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.41
KDM4E B2RXH2 3/20 0.37
GABRA1 P14867 4/20 0.36
GABRB2 P47870 4/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35
CNR2 P34972 4/20 0.34
ALOX5 P09917 2/20 0.34
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
CNR1 P21554 1/20 0.34
MAPT P10636 1/20 0.34

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
Hydrochloric Acid SCHEMBL8421585 0.85 FDFT1 (0.41) FDFT1KDM4EGABRA1GABRB2CNR2
SCHEMBL8423284 0.85 FDFT1 (0.41) FDFT1KDM4EGABRA1GABRB2ALDH1A1
SCHEMBL8772748 0.82 FDFT1 (0.37) FDFT1ALDH1A1CHRM2CHRM4CHRM5
SCHEMBL8772751 0.82 FDFT1 (0.37) FDFT1ALDH1A1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL8772602 0.81 FDFT1 (0.42) FDFT1ALDH1A1TSHRMAPT
SCHEMBL8421904 0.80 MAPT (0.42) FDFT1KDM4EALDH1A1MAPT
SCHEMBL8565534 0.79 FDFT1 (0.66) FDFT1KDM4EGABRA1GABRB2ALDH1A1
SCHEMBL8421714 0.79 MAPT (0.42) FDFT1KDM4EALDH1A1MAPT
SCHEMBL8420308 0.78 FDFT1 (0.65) FDFT1KDM4EGABRA1GABRB2ALDH1A1
SCHEMBL9150823 0.78 FDFT1 (0.35) FDFT1KDM4EALDH1A1CHRM2CHRM4

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