SCHEMBL4789461

SCHEMBL4789461

CC(C)(C)OC(=O)CN1CCOc2ccc(OC(F)(F)F)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.43
ACACB O00763 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
KCNH2 Q12809 2/20 0.36
SCN1A P35498 1/20 0.36
SCN4A P35499 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
XIAP P98170 1/20 0.36
BIRC2 Q13490 1/20 0.36
P2RY1 P47900 1/20 0.35

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
SCHEMBL806685 0.86 CYP3A4 (0.43) RIPK1ACACBKMT2AMEN1ATM
SCHEMBL10074953 0.78 RIPK1 (0.46) RIPK1SMN1; SMN2PRMT5WDR77
SCHEMBL10075222 0.78 RIPK1 (0.46) RIPK1SMN1; SMN2
SCHEMBL10070995 0.74 RIPK1 (0.48) RIPK1P2RY1EPHX2
SCHEMBL807151 0.73 RIPK1 (0.47) RIPK1
SCHEMBL10074955 0.73 RIPK1 (0.47) RIPK1P2RY1EPHX2
SCHEMBL14023336 0.73 RIPK1 (0.48) RIPK1P2RY1
SCHEMBL10070492 0.70 RYR2 (0.46) RIPK1KCNH2SCN9ASCN10AABL1
SCHEMBL10070490 0.70 RIPK1 (0.44) RIPK1KCNH2SCN9ASCN10AABL1
SCHEMBL30584100 0.68 MAOA (0.36) RIPK1ACACBKMT2AMEN1KCNH2

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-2008144483-A2 AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2008-11-27 WO disclosed