SCHEMBL6138221

SCHEMBL6138221

CNC1(CCc2cccnc2)CC1

nearest known ligand 0.97

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2A6 P11509 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
HRH1 P35367 2/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42

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
Hydrochloric Acid SCHEMBL6138577 0.98 CHRNA7 (0.46) CHRNA7TDP1L3MBTL1CYP2A6CYP1A2
SCHEMBL6138220 0.75 CHRNA7 (0.57) CHRNA7TDP1L3MBTL1CYP2A6HRH1
Hydrochloric Acid SCHEMBL6138304 0.74 CHRNA7 (0.56) CHRNA7TDP1L3MBTL1CYP2A6HRH1
SCHEMBL6138243 0.74 CHRNB2 (0.59) CHRNB2CHRNA4
SCHEMBL6138217 0.73 CHRNB2 (0.57) CHRNB2CHRNA4
SCHEMBL173147 0.73
SCHEMBL30672504 0.73
SCHEMBL29485692 0.72 CHRNA7 (0.74) CHRNA7TDP1L3MBTL1CYP2A6CYP1A2
SCHEMBL724866 0.72 CHRNA7 (0.74) CHRNA7TDP1L3MBTL1CYP2A6CYP1A2
SCHEMBL29403584 0.72 ATM (0.57) CHRNA7TDP1L3MBTL1CYP2A6CYP1A2

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