SCHEMBL3115665

SCHEMBL3115665

COc1cc(C)ccc1OC1CCC[N]C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
RECQL P46063 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDE4A P27815 4/20 0.39
SYK P43405 1/20 0.38
PDE5A O76074 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
DRD4 P21917 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
PDE4B Q07343 2/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
PDE4C Q08493 1/20 0.36

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
SCHEMBL3124260 1.00 ACHE (0.47) ACHERECQLNPC1RAB9APDE4A
SCHEMBL16440160 0.83 ACHE (0.59) ACHERECQLNPC1RAB9APDE4A
SCHEMBL2907378 0.83 ACHE (0.59) ACHERECQLNPC1RAB9APDE4A
SCHEMBL3121648 0.82 CYP11B2 (0.45) RECQLPDE4APDE5APDE1APDE1B
SCHEMBL3121642 0.82 CYP11B2 (0.45) RECQLPDE4APDE5APDE1APDE1B
SCHEMBL10196687 0.82 ACHE (0.57) ACHERECQLNPC1RAB9APDE4A
SCHEMBL15280209 0.80 ACHE (0.63) ACHERECQLNPC1RAB9APDE4A
SCHEMBL6873641 0.77 PDE4A (0.60) ACHEPDE4APDE5APDE1APDE1B
SCHEMBL3120758 0.75 EGFR (0.40) ALDH1A1MEN1MAPTALOX12KMT2A
SCHEMBL10196388 0.74 PDE4D (0.53) ACHEPDE4ASYKPDE4BPDE4C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed