SCHEMBL8871852

SCHEMBL8871852

COC(=O)C1=Cc2cccn2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.39
CHRM2 P08172 3/20 0.39
CHRM4 P08173 3/20 0.39
CHRM5 P08912 3/20 0.39
CHRM1 P11229 3/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
CA12 O43570 4/20 0.36
CA9 Q16790 4/20 0.36
TSHR P16473 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 2/20 0.34
FBP1 P09467 1/20 0.33
NAMPT P43490 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL6324923 0.70 KMT2A (0.41) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL23627241 0.61 CHRM3 (0.44) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL27488628 0.61 CHRM3 (0.44) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9833055 0.60 KDM4E (0.41) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL5798986 0.60
Dimethyl Phthalate SCHEMBL27488190 0.60 TSHR (0.65) LMNACA9TSHRCA1CA2
SCHEMBL866607 0.60 RAB9A (0.58) LMNATSHRALDH1A1NPC1MAPT
SCHEMBL5600204 0.59 CA12 (0.59) CA12CA9CA2ALOX15
SCHEMBL5906945 0.59 PTPN1 (0.50) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL10431184 0.59 CHRM3 (0.50) CHRM3CHRM2CHRM4CHRM5CHRM1

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 4 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
CN-87102972-A Treatment senile dementia oxadiazoles useful 1987-11-18 CN disclosed
EP-0239309-A2 Oxadiazoles useful in the treatment of senile dementia MERCK SHARP & DOHME LTD. (GB) 1987-09-30 EP disclosed