SCHEMBL7203834

SCHEMBL7203834

CCCCCN(C)CCCCOC1CCC(CNC(=O)Oc2ccc(C(=O)OC)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.51
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LSS P48449 2/20 0.39
CNR2 P34972 4/20 0.38
CNR1 P21554 3/20 0.38
NPC1 O15118 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
FAAH O00519 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
SCHEMBL4802756 0.88 LSS (0.50) MGLLMEN1KMT2ALSS
SCHEMBL7203840 0.83 LSS (0.47) MGLLLSSNPC1CASP1RAB9A
SCHEMBL7209252 0.79 MAPK14 (0.41) MEN1KMT2ALSS
SCHEMBL27578412 0.78 LSS (0.48) MEN1KMT2ALSS
SCHEMBL7211489 0.78 NAAA (0.45) CNR2CNR1
SCHEMBL28749500 0.77 LSS (0.47) MEN1KMT2ALSS
SCHEMBL7209102 0.77 TMEM97 (0.42) MEN1KMT2ALSS
SCHEMBL27596327 0.77 LSS (0.53) MEN1KMT2ALSS
SCHEMBL27596423 0.74 LSS (0.48) MEN1KMT2ALSS
SCHEMBL27596333 0.74 LSS (0.54) MEN1KMT2ALSSFAAH

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-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed