SCHEMBL8054546

SCHEMBL8054546

CC(C)(C)OC(=O)NC1CCN(CC(O)COc2ccc(F)c(F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.52
SCN5A Q14524 1/20 0.52
SCN9A Q15858 1/20 0.52
TSHR P16473 1/20 0.48
USP2 O75604 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATF4 P18848 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.44
KCNA3 P22001 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL29356382 0.92 ATF4 (0.58) SCN1ASCN5ASCN9ATSHRUSP2
SCHEMBL8042975 0.89 TSHR (0.62) SCN1ASCN5ASCN9ATSHRUSP2
SCHEMBL24225699 0.87 SCN1A (0.55) SCN1ASCN5ASCN9AUSP2MEN1
SCHEMBL22373890 0.86 ATF4 (0.54) SCN1ASCN5ASCN9AATF4
SCHEMBL24225652 0.81 ATF4 (0.52) ATF4
SCHEMBL24225633 0.81 ATF4 (0.52) ATF4
SCHEMBL20854551 0.79 ATF4 (0.56) TSHRUSP2MEN1KMT2AATF4
SCHEMBL21882081 0.79 ATF4 (0.59) ATF4
SCHEMBL29436900 0.79 ATF4 (0.59) ATF4
SCHEMBL4340211 0.78 SCN5A (0.55) SCN1ASCN5ASCN9ATSHRUSP2

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
US-6011032-A Heterocyclic compounds for treating myocardial ischemia PIERRE FABRE MEDICAMENT (FR) 2000-01-04 US disclosed