SCHEMBL8969731

SCHEMBL8969731

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

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.55
HRH3 Q9Y5N1 1/20 0.36
CHRM5 P08912 5/20 0.34
CHRM1 P11229 5/20 0.34
CHRM3 P20309 5/20 0.34
CHRM2 P08172 2/20 0.34
EPHX2 P34913 1/20 0.32
CHRM4 P08173 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30

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
SCHEMBL8968777 0.95 FDFT1 (0.49) FDFT1CHRM5CHRM1CHRM3CHRM2
SCHEMBL8970299 0.94 FDFT1 (0.49) FDFT1CHRM5CHRM1CHRM3CHRM2
SCHEMBL8969944 0.93 FDFT1 (0.48) FDFT1CHRM5CHRM1CHRM3CHRM2
SCHEMBL8968794 0.91 FDFT1 (0.67) FDFT1HRH3CHRM5CHRM1CHRM3
SCHEMBL8969838 0.89 FDFT1 (0.56) FDFT1CHRM5CHRM1CHRM3AKR1C3
SCHEMBL27501580 0.79 FDFT1 (0.84) FDFT1
SCHEMBL8417676 0.79 FDFT1 (0.44) FDFT1HRH3EPHX2KDM4EALDH1A1
SCHEMBL8421697 0.77 FDFT1 (0.43) FDFT1EPHX2KDM4EALDH1A1MAPK1
SCHEMBL8417632 0.75 FDFT1 (0.60) FDFT1HRH3AKR1C3AKR1C2
SCHEMBL8969555 0.74 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