SCHEMBL3159094

SCHEMBL3159094

N#CC1(c2ccccc2I)CCC(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.32
BACE1 P56817 1/20 0.31
GAA P10253 1/20 0.30
RECQL P46063 1/20 0.30
OPRM1 P35372 1/20 0.30
PGR P06401 1/20 0.30
CRBN Q96SW2 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL4574189 0.86 OPRM1 (0.35) MEN1KMT2APDE7ABACE1OPRM1
SCHEMBL4574763 0.82 NPC1 (0.35) MEN1KMT2APDE7ABACE1OPRM1
SCHEMBL1557008 0.81 MEN1 (0.39) MEN1CYP2C9KMT2APDE4APDE4B
SCHEMBL6111097 0.81 OPRM1 (0.33) BACE1OPRM1
SCHEMBL2289999 0.80 MEN1 (0.38) MEN1CYP2C9KMT2APDE4APDE4B
SCHEMBL7949441 0.80 MEN1 (0.38) MEN1CYP2C9KMT2APDE4APDE4B
SCHEMBL2294184 0.80 ADRA1A (0.43) MEN1CYP2C9KMT2APDE4APDE4B
SCHEMBL30168408 0.80 MEN1 (0.38) MEN1CYP2C9KMT2APDE4APDE4B
SCHEMBL2288498 0.80 ADRA1A (0.42) MEN1CYP2C9KMT2APDE4APDE4B
Ethylene SCHEMBL3968587 0.79 MEN1 (0.37) MEN1CYP2C9KMT2APDE4APDE4B

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
EP-2164825-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Sanofi-Aventis (FR) 2010-03-24 EP disclosed
WO-2008148468-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI-AVENTIS (FR) 2008-12-11 WO disclosed