SCHEMBL8772704

SCHEMBL8772704

C=CCc1cc(C#N)ccc1OCC1(O)CN2CCC1CC2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.37
MMP13 P45452 1/20 0.35
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
PTGDR Q13258 1/20 0.32
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
MEN1 O00255 1/20 0.31

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 0.82 FDFT1 (0.41) FDFT1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8423284 0.82 FDFT1 (0.41) FDFT1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8422017 0.81 FDFT1 (0.39) FDFT1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8772588 0.81 PTGDR (0.39) FDFT1MMP13PTGDR2PTGDRMEN1
SCHEMBL8772725 0.81 ALDH1A1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL8772602 0.80 FDFT1 (0.42) FDFT1PTGDR2PTGDRMEN1
Hydrochloric Acid SCHEMBL8772570 0.80 ALDH1A1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL8772720 0.79 MEN1 (0.39) FDFT1PTGDR2PTGDRMEN1
SCHEMBL8772553 0.79 MEN1 (0.39) FDFT1PTGDR2PTGDRMEN1
SCHEMBL8421904 0.79 MAPT (0.42) FDFT1MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US claimed
EP-0654032-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1997-10-15 EP claimed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 EP claimed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 WO claimed
US-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US disclosed
EP-0654032-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1997-10-15 EP disclosed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 EP disclosed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 WO disclosed