SCHEMBL6137965

SCHEMBL6137965

CN(C)C(=O)OCCCC1(N(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.46
CHRNA4 P43681 6/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
NR1H4 Q96RI1 1/20 0.33
ALDH1A1 P00352 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
Fumaric Acid SCHEMBL6138515 0.91 CHRNB2 (0.39) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL6138512 0.91 CHRNB2 (0.39) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6138489 0.89 CHRNB2 (0.48) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6138405 0.81 ATM (0.35) OPRM1OPRL1
Fumaric Acid SCHEMBL6294821 0.80 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL6294820 0.80 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6138299 0.79 EPHX1 (0.47) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6138269 0.77 CHRNB2 (0.47) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL6294196 0.76 CHRNB2 (0.45) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL8372848 0.74 CHRNB2 (0.62) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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
EP-1170281-B1 1,1- and 1,2-disubstituted cyclopropanes, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2005-12-21 EP claimed
EP-1170281-A1 1,1- and 1,2-disubstituted cyclopropanes, process for their preparation and pharmaceutical compositions thereof LES LABORATOIRES SERVIER (FR) 2002-01-09 EP claimed
EP-1170281-B1 1,1- and 1,2-disubstituted cyclopropanes, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2005-12-21 EP disclosed
EP-1170281-A1 1,1- and 1,2-disubstituted cyclopropanes, process for their preparation and pharmaceutical compositions thereof LES LABORATOIRES SERVIER (FR) 2002-01-09 EP disclosed