SCHEMBL8968794

SCHEMBL8968794

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

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.67
HRH3 Q9Y5N1 1/20 0.38
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
CYP4Z1 Q86W10 1/20 0.33
CASR P41180 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
USP14 P54578 1/20 0.32
SYK P43405 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
SCHEMBL8969838 0.91 FDFT1 (0.56) FDFT1CHRM5CHRM1CHRM3
SCHEMBL8969731 0.91 FDFT1 (0.55) FDFT1HRH3CHRM5CHRM1CHRM3
SCHEMBL8968777 0.86 FDFT1 (0.49) FDFT1CHRM5CHRM1CHRM3
SCHEMBL8970299 0.85 FDFT1 (0.49) FDFT1CHRM5CHRM1CHRM3
SCHEMBL8969944 0.84 FDFT1 (0.48) FDFT1CHRM5CHRM1CHRM3ALDH1A1
SCHEMBL8417632 0.84 FDFT1 (0.60) FDFT1HRH3CYP4F2CYP4A11CYP4Z1
SCHEMBL8968715 0.80 FDFT1 (1.00) FDFT1
SCHEMBL9282332 0.77 FDFT1 (0.76) FDFT1HRH3CYP4F2CYP4A11CASR
SCHEMBL8419593 0.75 FDFT1 (0.49) FDFT1CYP4Z1ALDH1A1
SCHEMBL8420013 0.74 FDFT1 (0.48) FDFT1HRH3CYP4F2CYP4A11CYP4Z1

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 3 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
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed