SCHEMBL20095969

SCHEMBL20095969

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
CHRNB3 Q05901 1/20 0.50
CHRNA6 Q15825 1/20 0.50
PIK3CD O00329 1/20 0.38
EPHX2 P34913 1/20 0.32
NPY5R Q15761 1/20 0.31
JAK2 O60674 2/20 0.30
JAK1 P23458 2/20 0.30
JAK3 P52333 2/20 0.30
TYK2 P29597 1/20 0.30

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
SCHEMBL12448146 0.83 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20063334 0.77 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25895282 0.74 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20095914 0.74 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12414290 0.73 L3MBTL3 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4546652 0.73 L3MBTL3 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12414289 0.73 L3MBTL3 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16252571 0.72 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22991196 0.72 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10139548 0.72 CHRNB2 (0.59) 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