SCHEMBL20095914

SCHEMBL20095914

CC(C)C(=O)N1CC(N(C)C2CCCCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNB3 Q05901 1/20 0.44
CHRNA6 Q15825 1/20 0.44
DPP4 P27487 6/20 0.36
LIPE Q05469 1/20 0.35
PDE4B Q07343 1/20 0.34
ADH1C P00326 2/20 0.34
ADH1A P07327 2/20 0.34
ADH1B P00325 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
SCN9A Q15858 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL19659043 0.86 NPY5R (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20096208 0.80 EPHX2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20095899 0.79 SMN1; SMN2 (0.41) LIPESCN9A
SCHEMBL21907015 0.79 SCN9A (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12448146 0.77 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20095807 0.77 HSD11B1 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20063482 0.75 SCN9A (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20095969 0.74 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL18348011 0.74 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12308335 0.74 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed