SCHEMBL6138358

SCHEMBL6138358

CC1(C)CC1(N)COc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.47
CHRNA4 P43681 9/20 0.47
CHRNA1 P02708 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNB3 Q05901 1/20 0.46

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
SCHEMBL6138228 0.85 CHRNB2 (0.53) CHRNB2CHRNA4
SCHEMBL4643117 0.79 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA1CHRNB1CHRNB4
SCHEMBL4643121 0.79 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA1CHRNB1CHRNB4
SCHEMBL4643126 0.79 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA1CHRNB1CHRNB4
SCHEMBL6138305 0.79 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA1CHRNB1CHRNB4
Hydrochloric Acid SCHEMBL5118971 0.78 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA1CHRNB1CHRNB4
Hydrochloric Acid SCHEMBL5118970 0.78 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA1CHRNB1CHRNB4
Hydrochloric Acid SCHEMBL5118968 0.78 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA1CHRNB1CHRNB4
Hydrochloric Acid SCHEMBL6138572 0.78 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA1CHRNB1CHRNB4
SCHEMBL4642653 0.77 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA1CHRNB1CHRNB4

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 1 patent. 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