SCHEMBL4608539

SCHEMBL4608539

CC(C)N1CCN(C(=O)C2CCCCC2Nc2ccc3c(c2)CCC3=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKZF2 Q9UKS7 7/20 0.42
GPR119 Q8TDV5 2/20 0.40
HRH3 Q9Y5N1 5/20 0.39
BAZ2B Q9UIF8 1/20 0.39
MAPK14 Q16539 1/20 0.35
P2RX3 P56373 1/20 0.35

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
SCHEMBL3323650 0.82 GPR119 (0.41) GPR119HRH3BAZ2BMAPK14
SCHEMBL3323647 0.82 GPR119 (0.41) GPR119HRH3BAZ2BMAPK14
SCHEMBL3330385 0.82 GPR119 (0.41) GPR119HRH3BAZ2BMAPK14
SCHEMBL4608665 0.77 HRH3 (0.46) HRH3
SCHEMBL4610113 0.67 CTSS (0.45) HRH3
SCHEMBL5523269 0.64 MEN1 (0.55) BAZ2BMAPK14
SCHEMBL4654177 0.64 CCR1 (0.49) HRH3
SCHEMBL4962872 0.63 RAB9A (0.59)
SCHEMBL13503770 0.63 ALDH1A1 (0.70) HRH3
SCHEMBL1091777 0.62 BAZ2B (0.82) BAZ2BMAPK14

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