SCHEMBL1905484

SCHEMBL1905484

CC(C)(C)N(C(=O)O)C1(c2ccc(-c3oc4cc(C#N)ccc4c3I)cc2)CCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
CNR1 P21554 1/20 0.36
CASP1 P29466 1/20 0.36
CNR2 P34972 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XDH P47989 1/20 0.31
SLC22A12 Q96S37 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
SCHEMBL1903074 0.88 MAPT (0.36) CYP3A4MAPTALOX15CNR1CASP1
SCHEMBL1903372 0.80 OPRM1 (0.30) SLC22A12
SCHEMBL1352509 0.79 OPRL1 (0.39)
SCHEMBL1908041 0.78 CYP3A4 (0.37) CYP3A4MAPTALOX15CNR1CASP1
SCHEMBL2030849 0.77 OPRL1 (0.38)
SCHEMBL2508530 0.75 OPRL1 (0.42)
SCHEMBL1901534 0.74
Carbamic Acid SCHEMBL1908497 0.73 IP6K1 (0.37) MAPTSMN1; SMN2
SCHEMBL1907601 0.72
SCHEMBL1905911 0.70 ALDH1A1 (0.33) MAPTALOX15SMN1; SMN2SLC22A12

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-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO disclosed