SCHEMBL7703789

SCHEMBL7703789

COc1cccc(C#CCON)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.54
CHRM1 P11229 3/20 0.54
CHRM3 P20309 3/20 0.54
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
IDO1 P14902 2/20 0.49
AGXT P21549 2/20 0.49
GRM5 P41594 5/20 0.48
CHRM4 P08173 2/20 0.47
CHRM5 P08912 2/20 0.47
FFAR1 O14842 1/20 0.46
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
Oxalic Acid SCHEMBL8201190 0.91 FFAR1 (0.52) CHRM2CHRM1CHRM3CA12CA1
SCHEMBL19291472 0.83 CHRM2 (0.56) CHRM2CHRM1CHRM3CA12CA1
SCHEMBL29745229 0.83 CHRM2 (0.56) CHRM2CHRM1CHRM3CA12CA1
SCHEMBL23843579 0.81 CHRM2 (0.57) CHRM2CHRM1CHRM3CA12CA1
SCHEMBL6132140 0.80 GRM5 (0.66) CHRM2CHRM1CHRM3CA12CA1
SCHEMBL30707880 0.80 GRM5 (0.66) CHRM2CHRM1CHRM3CA12CA1
SCHEMBL2155272 0.79 CHRM2 (0.56) CHRM2CHRM1CHRM3CA12CA1
SCHEMBL8617907 0.79 CHRM2 (0.56) CHRM2CHRM1CHRM3CA12CA1
SCHEMBL6201292 0.79 APP (0.55) CHRM2CHRM1CA12CA1CA2
SCHEMBL16298669 0.78 CHRM2 (0.55) CHRM2CHRM1CHRM3CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121459-A Single pot process for producing (Z)-azabicyclo oxime ethers WARNER-LAMBERT COMPANY (US) 2000-09-19 US claimed
EP-0968212-B1 METHOD OF MAKING (1S, 4R)-1-AZABICYCLO 2.2.1]HEPTAN-3-ONE AND (1R, 4S), 1-AZABICYCLO 2.2.1]HEPTAN-3-ONE WARNER LAMBERT CO (US) 2002-04-17 EP disclosed
US-6121306-A Method of making (1S, 4R)-1-azabicyclo[2.2.1]heptan-3-one and (1R, 4S), 1-azabicyclo[2.2.1]heptan-3-one WARNER-LAMBERT COMPANY (US) 2000-09-19 US disclosed
US-6121459-A Single pot process for producing (Z)-azabicyclo oxime ethers WARNER-LAMBERT COMPANY (US) 2000-09-19 US disclosed
EP-0968212-A1 METHOD OF MAKING (1S, 4R)-1-AZABICYCLO 2.2.1]HEPTAN-3-ONE AND (1R, 4S), 1-AZABICYCLO 2.2.1]HEPTAN-3-ONE WARNER-LAMBERT COMPANY (US) 2000-01-05 EP disclosed
WO-1998032759-A1 METHOD OF MAKING (1S, 4R)-1-AZABICYCLO[2.2.1]HEPTAN-3-ONE AND (1R, 4S), 1-AZABICYCLO[2.2.1]HEPTAN-3-ONE WARNER LAMBERT COMPANY (US) 1998-07-30 WO disclosed