SCHEMBL8969944

SCHEMBL8969944

C=CCc1cc(CCCCCC(=O)OC)ccc1C#CC1CN2CCC1CC2

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.48
CHRM5 P08912 4/20 0.33
CHRM1 P11229 4/20 0.33
CHRM3 P20309 4/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
FAAH O00519 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MGLL Q99685 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
SCHEMBL8970299 0.99 FDFT1 (0.49) FDFT1CHRM5CHRM1CHRM3EPHX2
SCHEMBL8968777 0.96 FDFT1 (0.49) FDFT1CHRM5CHRM1CHRM3EPHX2
SCHEMBL8969731 0.93 FDFT1 (0.55) FDFT1CHRM5CHRM1CHRM3EPHX2
SCHEMBL8421697 0.85 FDFT1 (0.43) FDFT1EPHX2ALDH1A1KDM4EMAPK1
SCHEMBL8968794 0.84 FDFT1 (0.67) FDFT1CHRM5CHRM1CHRM3ALDH1A1
SCHEMBL8969838 0.83 FDFT1 (0.56) FDFT1CHRM5CHRM1CHRM3FAAH
SCHEMBL8417676 0.81 FDFT1 (0.44) FDFT1EPHX2ALDH1A1KDM4EMAPK1
SCHEMBL27486672 0.81 FDFT1 (0.74) FDFT1
SCHEMBL27459364 0.80 FDFT1 (0.75) FDFT1
SCHEMBL8969555 0.77 FDFT1 (0.76) FDFT1

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-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP claimed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO claimed