SCHEMBL8872327

SCHEMBL8872327

COC(=O)C1CN2CCC1C(C)C2

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ CHRM1 P11229 1/20 0.35

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
SCHEMBL9369836 0.84 TSHR (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL18648496 0.80 ALDH1A1 (0.35) CHRM1
SCHEMBL6965129 0.78 CHRM2 (0.47) CHRM1
SCHEMBL7266907 0.77 CHRM1 (0.49) CHRM1
Hydrochloric Acid SCHEMBL5200635 0.77 ALDH1A1 (0.49) CHRM1
SCHEMBL10369501 0.75 CHRM1 (0.51) CHRM1
Oxalic Acid SCHEMBL10367531 0.72 CHRM1 (0.45) SLC6A2SLC6A4SLC6A3CHRM1
SCHEMBL3314224 0.70 CHRM1 (0.40) CHRM1
SCHEMBL14256081 0.68 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL11442910 0.67 ALDH1A1 (0.40) CHRM1

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
US-5686463-A Oxadiazoles useful in the treatment of senile dementia MERCK, SHARP & DOHME, LTD. (GB) 1997-11-11 — — US disclosed
EP-0239309-B1 Oxadiazoles useful in the treatment of senile dementia MERCK SHARP & DOHME (GB) 1994-01-12 — — EP disclosed
EP-0239309-A2 Oxadiazoles useful in the treatment of senile dementia MERCK SHARP & DOHME LTD. (GB) 1987-09-30 — — EP disclosed
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