SCHEMBL5015835

SCHEMBL5015835

CCCNC1CCC(OCCCCCCN(C)CCOCC)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.33
CNR1 P21554 2/20 0.31
CNR2 P34972 1/20 0.31
LSS P48449 1/20 0.30
GNAI3 P08754 2/20 0.30
GNAO1 P09471 2/20 0.30
GNAI1 P63096 2/20 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
SCHEMBL5015838 1.00 EPHX2 (0.33) EPHX2CNR1CNR2LSSGNAI3
SCHEMBL4805338 0.90 EPHX2 (0.33) EPHX2CNR1CNR2LSSGNAI3
SCHEMBL4805368 0.90 EPHX2 (0.33) EPHX2CNR1CNR2LSSGNAI3
SCHEMBL4803724 0.79 EPHX2 (0.32) EPHX2LSS
SCHEMBL4803717 0.79 EPHX2 (0.32) EPHX2LSS
SCHEMBL7210764 0.77 EPHX2 (0.41) EPHX2LSS
SCHEMBL7209031 0.77 EPHX2 (0.41) EPHX2LSS
SCHEMBL7210761 0.77 EPHX2 (0.41) EPHX2LSS
SCHEMBL7209033 0.77 EPHX2 (0.41) EPHX2LSS
SCHEMBL7207714 0.77 EPHX2 (0.41) EPHX2LSS

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
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed