SCHEMBL4608665

SCHEMBL4608665

CC(C)N1CCN(C(=O)C2CCCCC2Nc2ccc(C(N)=O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.46
EPHX2 P34913 2/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL3326310 0.79 HRH3 (0.50) HRH3EPHX2
SCHEMBL3325419 0.79 HRH3 (0.50) HRH3EPHX2
SCHEMBL3325423 0.79 HRH3 (0.50) HRH3EPHX2
SCHEMBL4608539 0.77 IKZF2 (0.42) HRH3
SCHEMBL4610113 0.72 CTSS (0.45) HRH3
SCHEMBL6634646 0.72 CHRNA7 (0.64) HRH3EPHX2CHRNA7
SCHEMBL6153633 0.70 SYK (0.51)
SCHEMBL6153631 0.70 SYK (0.51)
SCHEMBL6633015 0.70 CHRNA7 (0.70) HRH3EPHX2CHRNA7
SCHEMBL4654177 0.68 CCR1 (0.49) HRH3

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-1976840-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES AND THEIR USE AS HISTAMINE H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-08 EP disclosed
WO-2007080140-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES AND THEIR USE AS HISTAMINE H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-19 WO disclosed