SCHEMBL2656476

SCHEMBL2656476

CCCCc1ccc[c]c1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.36
HTR2A P28223 1/20 0.33
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
EPHX2 P34913 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
CTSK P43235 3/20 0.31
CTSS P25774 2/20 0.31
ACHE P22303 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL10732464 0.94 LIPG (0.40) BCHECNR1CNR2EPHX2LIPG
SCHEMBL16950506 0.82 HTR2A (0.31) HTR2A
SCHEMBL3546378 0.81
SCHEMBL3550694 0.78 OPRM1 (0.33)
SCHEMBL16593924 0.76 BCHE (0.43) BCHEHTR2ACNR1CNR2EPHX2
SCHEMBL454639 0.75 NR3C1 (0.35)
SCHEMBL9845530 0.74 HTR1D (0.43) BCHEHTR2ALIPGACHE
SCHEMBL15568277 0.74 HTR1D (0.43) BCHEHTR2ALIPGACHE
SCHEMBL3545967 0.74 ALDH1A1 (0.33)
SCHEMBL529103 0.73 PTGDR2 (0.36) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129654-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR Metabasis Therapeutics, Inc. (US) 2009-12-09 EP claimed
WO-2008098244-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2008-08-14 WO claimed
EP-2129654-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR Metabasis Therapeutics, Inc. (US) 2009-12-09 EP disclosed
WO-2008098244-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2008-08-14 WO disclosed