SCHEMBL8969838

SCHEMBL8969838

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.56
FAAH O00519 8/20 0.32
MGLL Q99685 4/20 0.32
CHRM5 P08912 4/20 0.31
CHRM1 P11229 4/20 0.31
CHRM3 P20309 4/20 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
SCHEMBL8968794 0.91 FDFT1 (0.67) FDFT1CHRM5CHRM1CHRM3
SCHEMBL8969731 0.89 FDFT1 (0.55) FDFT1CHRM5CHRM1CHRM3AKR1C3
SCHEMBL8968777 0.84 FDFT1 (0.49) FDFT1FAAHMGLLCHRM5CHRM1
SCHEMBL8970299 0.83 FDFT1 (0.49) FDFT1FAAHMGLLCHRM5CHRM1
SCHEMBL8969944 0.83 FDFT1 (0.48) FDFT1FAAHMGLLCHRM5CHRM1
SCHEMBL27486671 0.82 FDFT1 (0.83) FDFT1
SCHEMBL8417632 0.76 FDFT1 (0.60) FDFT1AKR1C3AKR1C2
SCHEMBL8968715 0.72 FDFT1 (1.00) FDFT1
SCHEMBL8970179 0.71 FDFT1 (0.85) FDFT1
SCHEMBL27501580 0.70 FDFT1 (0.84) 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