SCHEMBL16620836

SCHEMBL16620836

CC(C)Oc1ccccc1-c1c(CN2CCNCC2)n(C(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
UTS2R Q9UKP6 1/20 0.38
ACHE P22303 1/20 0.36
HIF1A Q16665 1/20 0.35
MAP2 P11137 2/20 0.35
RAD52 P43351 1/20 0.35
NTRK1 P04629 1/20 0.34
IDO1 P14902 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
DTYMK P23919 1/20 0.34
ALK Q9UM73 1/20 0.34

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
SCHEMBL16621034 0.83 CHRM2 (0.41) CHRM3CHRM2CHRM4CHRM1MAP2
SCHEMBL16621139 0.81 SLC7A11 (0.47) CHRM3CHRM2CHRM4CHRM1
SCHEMBL16621133 0.78 CHRM2 (0.37) CHRM3CHRM2CHRM4CHRM1MAP2
SCHEMBL16620774 0.76 CHRM2 (0.39) CHRM3CHRM2CHRM4CHRM1MAP2
SCHEMBL5820725 0.66 SLC6A4 (0.60) CHRM2SLC6A2SLC6A4KCNH2
SCHEMBL30022454 0.65 CHRM2 (0.59) CHRM3CHRM2CHRM4CHRM1
SCHEMBL13696680 0.65 CHRM2 (0.59) CHRM3CHRM2CHRM4CHRM1
SCHEMBL2241939 0.63 PTGS1 (0.49) CHRM3CHRM2CHRM4CHRM1
SCHEMBL24554908 0.63 CHRM2 (0.49) CHRM3CHRM2CHRM4CHRM1
SCHEMBL19594148 0.63 CHRM2 (0.49) CHRM3CHRM2CHRM4CHRM1NTRK1

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-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 WO disclosed