SCHEMBL18882255

SCHEMBL18882255

CCC1C(C(C)C)CN1C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
PIK3CD O00329 2/20 0.32
ATM Q13315 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
HCRTR2 O43614 2/20 0.31
BRS3 P32247 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
SCHEMBL15423481 0.74 ATM (0.34) SMN1; SMN2PIK3CDATMCHRNB2CHRNA3
SCHEMBL16350278 0.72 ATM (0.33) SMN1; SMN2PIK3CDATM
SCHEMBL18931231 0.67
SCHEMBL14339364 0.67 OGA (0.33) ATM
SCHEMBL15423477 0.66 CHRNB2 (0.48) SMN1; SMN2PIK3CDCHRNB2CHRNA3CHRNA4
SCHEMBL16316176 0.66 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL16350197 0.66 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL220386 0.64
SCHEMBL14145678 0.64
SCHEMBL21129419 0.63 HCRTR2 (0.34) PIK3CDHCRTR2

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
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed