SCHEMBL6138299

SCHEMBL6138299

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
MAPK1 P28482 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
NFKB1 P19838 1/20 0.41
CHRM3 P20309 1/20 0.41
CHRNA7 P36544 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
APEX1 P27695 1/20 0.40
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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 SCHEMBL6138408 0.91 CHRNB2 (0.41) EPHX1CHRNB2CHRNA4MAPK1CHRM2
Fumaric Acid SCHEMBL6138400 0.91 CHRNB2 (0.41) EPHX1CHRNB2CHRNA4MAPK1CHRM2
SCHEMBL6138367 0.90 CHRNB2 (0.46) EPHX1CHRNB2CHRNA4MAPK1CHRM2
Fumaric Acid SCHEMBL6290169 0.81 CHRNB2 (0.43) EPHX1CHRNB2CHRNA4MAPK1CHRM2
Fumaric Acid SCHEMBL6290171 0.81 CHRNB2 (0.43) EPHX1CHRNB2CHRNA4MAPK1CHRM2
SCHEMBL6137965 0.79 CHRNB2 (0.46) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL12172818 0.73 EPHX1 (0.71) EPHX1CHRNB2CHRNA4MAPK1CHRM2
Fumaric Acid SCHEMBL6138515 0.72 CHRNB2 (0.39) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Fumaric Acid SCHEMBL6138512 0.72 CHRNB2 (0.39) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6138405 0.72 ATM (0.35) OPRM1OPRL1

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